CAS 342417-01-0

Chemistry, 2 End Use API, 1 Related Intermediates

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Also known as: 342417-01-0, 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide, 3-pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-, 6-(4-methylpiperazin-1-yl)-4-o-tolylnicotinamide, Mfcd11113419, 6-(4-methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide

Molecular Formula

C₁₈H₂₂N₄O

Molecular Weight

310.4 g/mol

InChI Key

UQTDFKWGXOVHFZ-UHFFFAOYSA-N

1 2D Structure

CAS 342417-01-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C18H22N4O/c1-13-5-3-4-6-14(13)15-11-17(20-12-16(15)18(19)23)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H2,19,23)

2.1.3 InChI Key

UQTDFKWGXOVHFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=CC=C1C2=CC(=NC=C2C(=O)N)N3CCN(CC3)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 342417-01-0

2. 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

3. 3-pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-

4. 6-(4-methylpiperazin-1-yl)-4-o-tolylnicotinamide

5. Mfcd11113419

6. 6-(4-methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide

7. 6-(4-methyl-1-piperazinyl)-4-(o-tolyl)nicotinamide

8. Netupitant Its-1

9. Schembl1399329

10. Dtxsid30467400

11. 4-(2-methylphenyl)-6-(4-methylpiperazinyl)-3-pyridinecarboxamide

12. Amy23768

13. Bcp09942

14. Akos027252843

15. Zinc116072685

16. Ac-29246

17. Da-22792

18. Ds-10287

19. Sy060994

20. Cs-0028242

21. Ft-0760090

22. A875060

23. 6-(4-methylpiperazin-1-yl)-4-o-tolyl-nicotinamide

24. 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide

25. 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)nicotinamide

26. 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide

27. 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide,

28. 3-pyridin; 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)nicotinamide; 6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide; 3-pyridinecarboxamide, 4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-;6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₂N₄O
Molecular Weight	310.4 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	310.17936134 g/mol
Monoisotopic Mass	310.17936134 g/mol
Topological Polar Surface Area	62.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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HUNAN OUYA BIOLOGICAL CO.,LTD

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CAS Number

342417-01-0

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Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufac...

Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Company has consecutively been identified as Scientific Innovation Enterprise by National Ministry of Science, High and New-Technology Enterprise by Hunan Province and one of Three-hundred Stars Enterprises by Changsha city. Our products have formed the five series step by step, it as the following: 1)Anti-tumor; 2)Anti-cardiovascular; 3)Anti-biotic; 4)Anti-migraine;5)Anti-HBV

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342417-01-0

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A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...

A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.

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