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

C19H14ClN3O4 — CID 7599052

IUPAC1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H14ClN3O4/c20-14-4-1-3-13(11-14)12-22-10-2-5-17(19(22)25)18(24)21-15-6-8-16(9-7-15)23(26)27/h1-11H,12H2,(H,21,24)
InChIKeySTDZUZVQOVZYGW-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.71
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 7599052) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
PubChem CID7599052
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H14ClN3O4/c20-14-4-1-3-13(11-14)12-22-10-2-5-17(19(22)25)18(24)21-15-6-8-16(9-7-15)23(26)27/h1-11H,12H2,(H,21,24)
InChIKeySTDZUZVQOVZYGW-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'}

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 40505003
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide (CID 7599052) is 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is STDZUZVQOVZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-14-4-1-3-13(11-14)12-22-10-2-5-17(19(22)25)18(24)21-15-6-8-16(9-7-15)23(26)27/h1-11H,12H2,(H,21,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-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-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).