1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide

C26H22ClN3O2 — CID 23040883

IUPAC1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2cccnc2)n(Cc2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C26H22ClN3O2/c1-17-6-3-4-8-22(17)29-26(32)24-23(31)14-18(2)30(16-19-9-11-21(27)12-10-19)25(24)20-7-5-13-28-15-20/h3-15H,16H2,1-2H3,(H,29,32)
InChIKeyPEWFDXDJVCCBKR-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.48
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 23040883) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID23040883
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2cccnc2)n(Cc2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C26H22ClN3O2/c1-17-6-3-4-8-22(17)29-26(32)24-23(31)14-18(2)30(16-19-9-11-21(27)12-10-19)25(24)20-7-5-13-28-15-20/h3-15H,16H2,1-2H3,(H,29,32)
InChIKeyPEWFDXDJVCCBKR-UHFFFAOYSA-N
XLogP5.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040556
1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14252502
1-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
CID 23040109
1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040194
2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040706
N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
CID 139649230
2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040873
6-methyl-N-(2-methylphenyl)-4-oxo-2-pentyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040324
1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040717
6-methyl-4-oxo-N-phenyl-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040319
2-butyl-N-(2-chlorophenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040327
6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide
CID 23040715

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide (CID 23040883) is 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide is Cc1ccccc1NC(=O)c1c(-c2cccnc2)n(Cc2ccc(Cl)cc2)c(C)cc1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is PEWFDXDJVCCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-17-6-3-4-8-22(17)29-26(32)24-23(31)14-18(2)30(16-19-9-11-21(27)12-10-19)25(24)20-7-5-13-28-15-20/h3-15H,16H2,1-2H3,(H,29,32).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 23040883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).