6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C14H13N3O4 — CID 86852224

IUPAC6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(=O)[nH]1
InChIInChI=1S/C14H13N3O4/c1-9-5-6-12(14(19)16-9)13(18)15-8-10-3-2-4-11(7-10)17(20)21/h2-7H,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyYMOHAFPZWSXLMB-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.52
Rot. Bonds4

About 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86852224) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86852224
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(=O)[nH]1
InChIInChI=1S/C14H13N3O4/c1-9-5-6-12(14(19)16-9)13(18)15-8-10-3-2-4-11(7-10)17(20)21/h2-7H,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyYMOHAFPZWSXLMB-UHFFFAOYSA-N
XLogP1.52
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-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

2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105069816
ethyl 2-[2-[(3-nitrophenyl)methylcarbamoyl]anilino]acetate
CID 139690714
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
2-methyl-3-[(3-nitrophenyl)methylamino]-3-oxopropanoic acid
CID 114898347
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
(2S)-2-amino-3-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 55084111
ethyl 2-[(3-nitrophenyl)methylamino]-2-oxoacetate
CID 10658438
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 86852224) is 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YMOHAFPZWSXLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-5-6-12(14(19)16-9)13(18)15-8-10-3-2-4-11(7-10)17(20)21/h2-7H,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86852224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).