2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide

C13H11N3O3 — CID 154376206

IUPAC2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ncccc2C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O3/c1-8-4-5-9(11(7-8)16(18)19)12-10(13(14)17)3-2-6-15-12/h2-7H,1H3,(H2,14,17)
InChIKeyXNFYQCVSCJCLPO-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.06
Rot. Bonds3

About 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide

2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 154376206) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID154376206
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ncccc2C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O3/c1-8-4-5-9(11(7-8)16(18)19)12-10(13(14)17)3-2-6-15-12/h2-7H,1H3,(H2,14,17)
InChIKeyXNFYQCVSCJCLPO-UHFFFAOYSA-N
XLogP2.06
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.06
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-(4-methyl-2-nitrophenyl)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-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 45437625
2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 22030050
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272
2-(4-methyl-2-nitrophenyl)-1H-imidazole
CID 67618498
2,5-dimethyl-3-nitrobenzamide
CID 119008464
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
7-methyl-4-nitroindeno[2,1-b]pyridin-9-one
CID 59938912
4-methoxy-2-nitro-5-pyridin-2-ylbenzamide
CID 18768465
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
carbamic acid;2-nitropyrimidine
CID 67023140
4-methyl-2-nitrophenolate
CID 6989903

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide (CID 154376206) is 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide is Cc1ccc(-c2ncccc2C(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is XNFYQCVSCJCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-4-5-9(11(7-8)16(18)19)12-10(13(14)17)3-2-6-15-12/h2-7H,1H3,(H2,14,17).
What are the key properties of 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide?
2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 154376206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).