1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C27H22ClN3O3 — CID 53119420

IUPAC1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O
InChIInChI=1S/C27H22ClN3O3/c1-18-7-2-3-8-19(18)17-29-25(32)23-10-6-16-31(27(23)34)21-14-12-20(13-15-21)30-26(33)22-9-4-5-11-24(22)28/h2-16H,17H2,1H3,(H,29,32)(H,30,33)
InChIKeyBCSOEIANBQDHBW-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.98
Rot. Bonds6

About 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 53119420) has the molecular formula C27H22ClN3O3 and a molecular weight of 471.94 g/mol. Its IUPAC name is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID53119420
Molecular FormulaC27H22ClN3O3
Molecular Weight471.94 g/mol
Exact Mass471.13
IUPAC Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O
InChIInChI=1S/C27H22ClN3O3/c1-18-7-2-3-8-19(18)17-29-25(32)23-10-6-16-31(27(23)34)21-14-12-20(13-15-21)30-26(33)22-9-4-5-11-24(22)28/h2-16H,17H2,1H3,(H,29,32)(H,30,33)
InChIKeyBCSOEIANBQDHBW-UHFFFAOYSA-N
XLogP4.98
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 53011449
1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089028
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-2-oxopyridine-3-carboxamide
CID 53119333
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
CID 53119327
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 110730355
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353
N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119465
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 53119420) is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O.
What is the InChIKey of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BCSOEIANBQDHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O3/c1-18-7-2-3-8-19(18)17-29-25(32)23-10-6-16-31(27(23)34)21-14-12-20(13-15-21)30-26(33)22-9-4-5-11-24(22)28/h2-16H,17H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 471.94 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).