2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid

C14H13N3O3 — CID 53223665

IUPAC2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cccc(-c2cnc(N)cc2C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-16-13(18)9-4-2-3-8(5-9)11-7-17-12(15)6-10(11)14(19)20/h2-7H,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyIHUOEFLVZQNSFF-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid

2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 53223665) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
PubChem CID53223665
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cccc(-c2cnc(N)cc2C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c1-16-13(18)9-4-2-3-8(5-9)11-7-17-12(15)6-10(11)14(19)20/h2-7H,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyIHUOEFLVZQNSFF-UHFFFAOYSA-N
XLogP1.39
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid 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

3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
5-(3-acetylphenyl)-2-chloropyridine-4-carboxylic acid
CID 53223105
2-amino-5-(3-fluoro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53222855
2-amino-5-(4-cyanophenyl)pyridine-4-carboxylic acid
CID 53222623
2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
CID 53224372
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid (CID 53223665) is 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid is CNC(=O)c1cccc(-c2cnc(N)cc2C(=O)O)c1.
What is the InChIKey of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is IHUOEFLVZQNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-13(18)9-4-2-3-8(5-9)11-7-17-12(15)6-10(11)14(19)20/h2-7H,1H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid?
2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 53223665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).