N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide

C23H23ClN2O2 — CID 26843691

IUPACN-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C23H23ClN2O2/c1-2-3-7-17-11-13-19(14-12-17)25-22(27)20-9-6-15-26(23(20)28)16-18-8-4-5-10-21(18)24/h4-6,8-15H,2-3,7,16H2,1H3,(H,25,27)
InChIKeyLVFGMVXQJQKQDM-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.14
Rot. Bonds7

About N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 26843691) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID26843691
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C23H23ClN2O2/c1-2-3-7-17-11-13-19(14-12-17)25-22(27)20-9-6-15-26(23(20)28)16-18-8-4-5-10-21(18)24/h4-6,8-15H,2-3,7,16H2,1H3,(H,25,27)
InChIKeyLVFGMVXQJQKQDM-UHFFFAOYSA-N
XLogP5.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 8670906
1-[(2-chlorophenyl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 7598532
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598504
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 3774896
1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
CID 52947935
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524447
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598552

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 26843691) is N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is CCCCc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is LVFGMVXQJQKQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-2-3-7-17-11-13-19(14-12-17)25-22(27)20-9-6-15-26(23(20)28)16-18-8-4-5-10-21(18)24/h4-6,8-15H,2-3,7,16H2,1H3,(H,25,27).
What are the key properties of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 26843691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).