N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

C23H22FN3O3 — CID 53119465

IUPACN-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
SMILESCCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3F)cc2)c1=O
InChIInChI=1S/C23H22FN3O3/c1-2-3-14-25-21(28)19-8-6-15-27(23(19)30)17-12-10-16(11-13-17)26-22(29)18-7-4-5-9-20(18)24/h4-13,15H,2-3,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyPJYXJKUVXLNEDX-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.76
Rot. Bonds7

About N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 53119465) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID53119465
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
SMILESCCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3F)cc2)c1=O
InChIInChI=1S/C23H22FN3O3/c1-2-3-14-25-21(28)19-8-6-15-27(23(19)30)17-12-10-16(11-13-17)26-22(29)18-7-4-5-9-20(18)24/h4-13,15H,2-3,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyPJYXJKUVXLNEDX-UHFFFAOYSA-N
XLogP3.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 53011449
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 53119378
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
1-(4-benzamidophenyl)-N-cyclopropyl-2-oxopyridine-3-carboxamide
CID 53119413

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide (CID 53119465) is N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide is CCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3F)cc2)c1=O.
What is the InChIKey of N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PJYXJKUVXLNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-2-3-14-25-21(28)19-8-6-15-27(23(19)30)17-12-10-16(11-13-17)26-22(29)18-7-4-5-9-20(18)24/h4-13,15H,2-3,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide?
N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).