2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid

C14H12N2O4 — CID 71429790

IUPAC2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
SMILESO=C(NCc1cccnc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O4/c17-12-4-3-10(6-11(12)14(19)20)13(18)16-8-9-2-1-5-15-7-9/h1-7,17H,8H2,(H,16,18)(H,19,20)
InChIKeyQFFPKLVOCCCSMC-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.42
Rot. Bonds4

About 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid

2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid (PubChem CID 71429790) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
PubChem CID71429790
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
SMILESO=C(NCc1cccnc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O4/c17-12-4-3-10(6-11(12)14(19)20)13(18)16-8-9-2-1-5-15-7-9/h1-7,17H,8H2,(H,16,18)(H,19,20)
InChIKeyQFFPKLVOCCCSMC-UHFFFAOYSA-N
XLogP1.42
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic 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-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
CID 71429785
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-benzylpyridine-3-carboxamide chloride
CID 21204170
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid (CID 71429790) is 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid is O=C(NCc1cccnc1)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
The InChIKey is QFFPKLVOCCCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12-4-3-10(6-11(12)14(19)20)13(18)16-8-9-2-1-5-15-7-9/h1-7,17H,8H2,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid is sourced from PubChem (CID 71429790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).