N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

C23H23ClN2O2 — CID 8671308

IUPACN-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESCCCCN(C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C23H23ClN2O2/c1-2-3-15-26(21-7-5-4-6-8-21)23(28)19-11-14-22(27)25(17-19)16-18-9-12-20(24)13-10-18/h4-14,17H,2-3,15-16H2,1H3
InChIKeyUKNCYRYRJXHDQZ-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.00
Rot. Bonds7

About N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide

N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 8671308) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
PubChem CID8671308
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
SMILESCCCCN(C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C23H23ClN2O2/c1-2-3-15-26(21-7-5-4-6-8-21)23(28)19-11-14-22(27)25(17-19)16-18-9-12-20(24)13-10-18/h4-14,17H,2-3,15-16H2,1H3
InChIKeyUKNCYRYRJXHDQZ-UHFFFAOYSA-N
XLogP5.00
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671332
N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
CID 55623499
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
CID 36667910
N-butyl-4-chloro-3-cyano-N-phenylbenzamide
CID 75444154
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8698060
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one
CID 130178574
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide (CID 8671308) is N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is CCCCN(C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is UKNCYRYRJXHDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-2-3-15-26(21-7-5-4-6-8-21)23(28)19-11-14-22(27)25(17-19)16-18-9-12-20(24)13-10-18/h4-14,17H,2-3,15-16H2,1H3.
What are the key properties of N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide?
N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 8671308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).