1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide

C20H17ClN2O2 — CID 26844078

IUPAC1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-14-5-8-18(9-6-14)22-20(25)16-7-10-19(24)23(13-16)12-15-3-2-4-17(21)11-15/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeySGILBIKXMNOQHY-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.11
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 26844078) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID26844078
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C20H17ClN2O2/c1-14-5-8-18(9-6-14)22-20(25)16-7-10-19(24)23(13-16)12-15-3-2-4-17(21)11-15/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeySGILBIKXMNOQHY-UHFFFAOYSA-N
XLogP4.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26844080
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
1-[(3-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26844094
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671462
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
1-[(3-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-6-oxopyridine-3-carboxamide
CID 26844110
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
N-(2,6-dimethylphenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671359
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide (CID 26844078) is 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is SGILBIKXMNOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14-5-8-18(9-6-14)22-20(25)16-7-10-19(24)23(13-16)12-15-3-2-4-17(21)11-15/h2-11,13H,12H2,1H3,(H,22,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 26844078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).