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

C24H24ClN3O3 — CID 53011449

IUPAC1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O
InChIInChI=1S/C24H24ClN3O3/c1-16(2)13-14-26-22(29)20-7-5-15-28(24(20)31)18-11-9-17(10-12-18)27-23(30)19-6-3-4-8-21(19)25/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySSUXZXDYSMIVJT-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.52
Rot. Bonds7

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

1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 53011449) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID53011449
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O
InChIInChI=1S/C24H24ClN3O3/c1-16(2)13-14-26-22(29)20-7-5-15-28(24(20)31)18-11-9-17(10-12-18)27-23(30)19-6-3-4-8-21(19)25/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySSUXZXDYSMIVJT-UHFFFAOYSA-N
XLogP4.52
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-2-oxopyridine-3-carboxamide
CID 53119333
N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119465
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
CID 53119327
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-[(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
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 53011449) is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide is CC(C)CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O.
What is the InChIKey of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is SSUXZXDYSMIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-16(2)13-14-26-22(29)20-7-5-15-28(24(20)31)18-11-9-17(10-12-18)27-23(30)19-6-3-4-8-21(19)25/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.52, 7 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-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53011449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).