CAS 1643330-62-4

1 2D Structure

CAS 1643330-62-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]pentanamide

2.1.2 InChI

InChI=1S/C20H26ClN3O3/c21-10-2-1-5-19(25)22-16-6-8-17(9-7-16)24-11-3-4-18(20(24)26)23-12-14-27-15-13-23/h4,6-9H,1-3,5,10-15H2,(H,22,25)

2.1.3 InChI Key

YWWKAVVYOWDKHS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCCl

2.2 Other Identifiers

2.2.1 UNII

V9YK56W8PQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1643330-62-4

2. 5-chloro-n-(4-(5-morpholino-6-oxo-3,6-dihydropyridin-1(2h)-yl)phenyl)pentanamide

3. V9yk56w8pq

4. 5-chloro-n-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2h)-pyridinyl)phenyl)pentanamide

5. Pentanamide, 5-chloro-n-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2h)-pyridinyl)phenyl)-

6. Unii-v9yk56w8pq

7. Schembl16730279

8. Cs-m2421

9. F19392

2.4 Create Date

2014-10-10

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClN₃O₃
Molecular Weight	391.9 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	391.1662694 g/mol
Monoisotopic Mass	391.1662694 g/mol
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	541
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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