4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide

C13H12N4O4 — CID 63578818

IUPAC4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1
InChIInChI=1S/C13H12N4O4/c14-15-13(19)10-3-1-9(2-4-10)7-16-8-11(17(20)21)5-6-12(16)18/h1-6,8H,7,14H2,(H,15,19)
InChIKeyJACPKAMWIDNOPK-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.41
Rot. Bonds4

About 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide

4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide (PubChem CID 63578818) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
PubChem CID63578818
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1
InChIInChI=1S/C13H12N4O4/c14-15-13(19)10-3-1-9(2-4-10)7-16-8-11(17(20)21)5-6-12(16)18/h1-6,8H,7,14H2,(H,15,19)
InChIKeyJACPKAMWIDNOPK-UHFFFAOYSA-N
XLogP0.41
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide 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

4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382694
1-[(4-nitrophenyl)methyl]-N-(1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8698035
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697960
1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698027
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
1-[2-(4-nitrophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 43520066
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
1-[(3-fluoro-5-nitrophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 115980740
4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide
CID 63578461
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide?
The IUPAC name of 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide (CID 63578818) is 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide?
The canonical SMILES for 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1.
What is the InChIKey of 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide?
The InChIKey is JACPKAMWIDNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c14-15-13(19)10-3-1-9(2-4-10)7-16-8-11(17(20)21)5-6-12(16)18/h1-6,8H,7,14H2,(H,15,19).
What are the key properties of 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide?
4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide has a molecular weight of 288.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide is sourced from PubChem (CID 63578818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).