N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide

C14H13N3O4 — CID 25474038

IUPACN-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C14H13N3O4/c1-16(9-10-5-3-2-4-6-10)14(19)12-7-11(17(20)21)8-15-13(12)18/h2-8H,9H2,1H3,(H,15,18)
InChIKeyTWAIZVZFSMJDNI-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.56
Rot. Bonds4

About N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide

N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 25474038) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID25474038
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C14H13N3O4/c1-16(9-10-5-3-2-4-6-10)14(19)12-7-11(17(20)21)8-15-13(12)18/h2-8H,9H2,1H3,(H,15,18)
InChIKeyTWAIZVZFSMJDNI-UHFFFAOYSA-N
XLogP1.56
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 107202696
N-[(4-bromophenyl)methyl]-N-methyl-4-nitro-1H-pyrrole-2-carboxamide
CID 60674521
ethyl 3-[benzyl(methyl)carbamoyl]-5-nitrobenzoate
CID 27665787
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide
CID 126749840
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
N-benzyl-4-chloro-N-methyl-3,5-dinitrobenzamide
CID 4633771
3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126648395
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide (CID 25474038) is N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is TWAIZVZFSMJDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-16(9-10-5-3-2-4-6-10)14(19)12-7-11(17(20)21)8-15-13(12)18/h2-8H,9H2,1H3,(H,15,18).
What are the key properties of N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide?
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25474038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).