1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide

C19H14ClN3O4 — CID 110382697

IUPAC1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C19H14ClN3O4/c20-16-10-15(23(26)27)7-8-17(16)21-19(25)14-6-9-18(24)22(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,25)
InChIKeyNBAXCAHVFRRHPX-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.71
Rot. Bonds5

About 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide

1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide (PubChem CID 110382697) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
PubChem CID110382697
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C19H14ClN3O4/c20-16-10-15(23(26)27)7-8-17(16)21-19(25)14-6-9-18(24)22(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,25)
InChIKeyNBAXCAHVFRRHPX-UHFFFAOYSA-N
XLogP3.71
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582715
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382694
N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697960
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 8671010
1-[(3-fluorophenyl)methyl]-N-(2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671056

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide (CID 110382697) is 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is NBAXCAHVFRRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-16-10-15(23(26)27)7-8-17(16)21-19(25)14-6-9-18(24)22(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,25).
What are the key properties of 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide?
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 383.79 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110382697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).