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Also known as: 356068-86-5, N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxamide, 8ts2jl9q75, 1h-pyrrole-3-carboxamide, n-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-, N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-formyl-1h-pyrrole-3-carboxamide, 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid n-(2-diethylaminoethyl)amide
Molecular Formula
C14H23N3O2
Molecular Weight
265.35  g/mol
InChI Key
BRZYBFNUINXZMJ-UHFFFAOYSA-N
FDA UNII
8TS2JL9Q75

CAS 356068-86-5
1 2D Structure

CAS 356068-86-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
2.1.2 InChI
InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)
2.1.3 InChI Key
BRZYBFNUINXZMJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=O)C
2.2 Other Identifiers
2.2.1 UNII
8TS2JL9Q75
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 356068-86-5

2. N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxamide

3. 8ts2jl9q75

4. 1h-pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-

5. N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-formyl-1h-pyrrole-3-carboxamide

6. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid N-(2-diethylaminoethyl)amide

7. 1h-pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-

8. Sunitinib Impurity C

9. Unii-8ts2jl9q75

10. Schembl1044420

11. Dtxsid40609672

12. Act01679

13. Bcp09380

14. Mfcd12913910

15. Zinc40456550

16. Akos015896193

17. Ac-8962

18. Cs-w022894

19. Sb62015

20. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid(2-diethylamino-ethyl)-amide

21. As-18315

22. Db-069236

23. Am20090633

24. Ft-0651839

25. 068d865

26. A822897

27. Q-101398

28. 5-formyl-2,4-dimethyl-1 H-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)-amide

29. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxyiic Acid (2-diethylamino-ethyl)-amide

30. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)-amide

31. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)amide

32. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylaminoethyl) Amide

33. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylaminoethyl)-amide

34. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylaminoethyl)amide

35. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylarnino-ethyl)-amide

36. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid(2-diethylaminoethyl)-amide

37. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid(2-diethylaminoethyl)amide

38. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid, N-(2-diethylaminoethyl)amide

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 265.35 g/mol
Molecular Formula C14H23N3O2
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass265.17902698 g/mol
Monoisotopic Mass265.17902698 g/mol
Topological Polar Surface Area65.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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