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

C21H18ClN3O3 — CID 8697563

IUPACN-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-14(26)23-18-6-8-19(9-7-18)24-21(28)16-5-10-20(27)25(13-16)12-15-3-2-4-17(22)11-15/h2-11,13H,12H2,1H3,(H,23,26)(H,24,28)
InChIKeySVGLINCITPFWFF-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.76
Rot. Bonds5

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

N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8697563) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8697563
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-14(26)23-18-6-8-19(9-7-18)24-21(28)16-5-10-20(27)25(13-16)12-15-3-2-4-17(22)11-15/h2-11,13H,12H2,1H3,(H,23,26)(H,24,28)
InChIKeySVGLINCITPFWFF-UHFFFAOYSA-N
XLogP3.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
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
1-[(3-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-6-oxopyridine-3-carboxamide
CID 26844110
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064
N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383054

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8697563) is N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is SVGLINCITPFWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-14(26)23-18-6-8-19(9-7-18)24-21(28)16-5-10-20(27)25(13-16)12-15-3-2-4-17(22)11-15/h2-11,13H,12H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8697563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).