2-nitro-N-pyridin-4-ylbenzamide

C12H9N3O3 — CID 766646

IUPAC2-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16)
InChIKeyOVXOOHFWTAEGEE-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.24
Rot. Bonds3

About 2-nitro-N-pyridin-4-ylbenzamide

2-nitro-N-pyridin-4-ylbenzamide (PubChem CID 766646) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-nitro-N-pyridin-4-ylbenzamide
PubChem CID766646
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-nitro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16)
InChIKeyOVXOOHFWTAEGEE-UHFFFAOYSA-N
XLogP2.24
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.24
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'}

Analyze 2-nitro-N-pyridin-4-ylbenzamide 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-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
2,3-dinitro-N-phenylbenzamide
CID 18931494
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-nitro-N-pyridin-4-ylbenzamide (CID 766646) is 2-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-nitro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is OVXOOHFWTAEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16).
What are the key properties of 2-nitro-N-pyridin-4-ylbenzamide?
2-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 243.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 766646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).