2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid

C21H18N2O3 — CID 11566404

IUPAC2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(-c2ccccn2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H18N2O3/c24-20(23-19-7-2-1-5-17(19)21(25)26)13-10-15-8-11-16(12-9-15)18-6-3-4-14-22-18/h1-9,11-12,14H,10,13H2,(H,23,24)(H,25,26)
InChIKeyKEWCUKDYRDSPHI-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.02
Rot. Bonds6

About 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid

2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid (PubChem CID 11566404) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid
PubChem CID11566404
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(-c2ccccn2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H18N2O3/c24-20(23-19-7-2-1-5-17(19)21(25)26)13-10-15-8-11-16(12-9-15)18-6-3-4-14-22-18/h1-9,11-12,14H,10,13H2,(H,23,24)(H,25,26)
InChIKeyKEWCUKDYRDSPHI-UHFFFAOYSA-N
XLogP4.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid (CID 11566404) is 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid is O=C(CCc1ccc(-c2ccccn2)cc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid?
The InChIKey is KEWCUKDYRDSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(23-19-7-2-1-5-17(19)21(25)26)13-10-15-8-11-16(12-9-15)18-6-3-4-14-22-18/h1-9,11-12,14H,10,13H2,(H,23,24)(H,25,26).
What are the key properties of 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid?
2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid has a molecular weight of 346.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyridin-2-ylphenyl)propanoylamino]benzoic acid is sourced from PubChem (CID 11566404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).