1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide

C26H22ClN3O2 — CID 23040214

IUPAC1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(-c2ccncc2)n(-c2ccccc2Cl)c(C)cc1=O
InChIInChI=1S/C26H22ClN3O2/c1-16-7-6-8-17(2)24(16)29-26(32)23-22(31)15-18(3)30(21-10-5-4-9-20(21)27)25(23)19-11-13-28-14-12-19/h4-15H,1-3H3,(H,29,32)
InChIKeyMCLXQWCNCLDJCW-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.73
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide

1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 23040214) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
PubChem CID23040214
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(-c2ccncc2)n(-c2ccccc2Cl)c(C)cc1=O
InChIInChI=1S/C26H22ClN3O2/c1-16-7-6-8-17(2)24(16)29-26(32)23-22(31)15-18(3)30(21-10-5-4-9-20(21)27)25(23)19-11-13-28-14-12-19/h4-15H,1-3H3,(H,29,32)
InChIKeyMCLXQWCNCLDJCW-UHFFFAOYSA-N
XLogP5.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040451
N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
CID 23040058
1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxopyridine-3-carboxamide
CID 23040452
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
CID 23040871
N-(2-ethyl-6-methylphenyl)-6-methyl-1-(2-methylphenyl)-2-(4-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040245
N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14277824
N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
CID 23040502
2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040411
N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
CID 23040476
N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 23040521
6-methyl-4-oxo-N-phenyl-2-pyridin-4-yl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040319
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide (CID 23040214) is 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1c(-c2ccncc2)n(-c2ccccc2Cl)c(C)cc1=O.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is MCLXQWCNCLDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-16-7-6-8-17(2)24(16)29-26(32)23-22(31)15-18(3)30(21-10-5-4-9-20(21)27)25(23)19-11-13-28-14-12-19/h4-15H,1-3H3,(H,29,32).
What are the key properties of 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 23040214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).