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

C27H24ClN3O2 — CID 23040871

IUPAC1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(-c2ccncc2)n(-c2cccc(Cl)c2)c(C)cc1=O
InChIInChI=1S/C27H24ClN3O2/c1-4-19-8-5-7-17(2)25(19)30-27(33)24-23(32)15-18(3)31(22-10-6-9-21(28)16-22)26(24)20-11-13-29-14-12-20/h5-16H,4H2,1-3H3,(H,30,33)
InChIKeyOSLWBCYSDUUOIF-UHFFFAOYSA-N
MW457.96 g/mol
LogP5.98
Rot. Bonds5

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

1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 23040871) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
PubChem CID23040871
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC Name1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(-c2ccncc2)n(-c2cccc(Cl)c2)c(C)cc1=O
InChIInChI=1S/C27H24ClN3O2/c1-4-19-8-5-7-17(2)25(19)30-27(33)24-23(32)15-18(3)31(22-10-6-9-21(28)16-22)26(24)20-11-13-29-14-12-20/h5-16H,4H2,1-3H3,(H,30,33)
InChIKeyOSLWBCYSDUUOIF-UHFFFAOYSA-N
XLogP5.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide
CID 23040058
2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040411
N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 23040521
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
N-(2,6-diethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
CID 23040365
N-(2-ethyl-6-methylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-phenylpyridine-3-carboxamide
CID 23040691
N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
CID 23040476
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
CID 60527227
2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide
CID 1374581
N-(2-ethyl-6-methylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 14156125

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide (CID 23040871) is 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1c(-c2ccncc2)n(-c2cccc(Cl)c2)c(C)cc1=O.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is OSLWBCYSDUUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-4-19-8-5-7-17(2)25(19)30-27(33)24-23(32)15-18(3)31(22-10-6-9-21(28)16-22)26(24)20-11-13-29-14-12-20/h5-16H,4H2,1-3H3,(H,30,33).
What are the key properties of 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide?
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-2-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 23040871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).