2-(3-pyridin-2-ylpropanoylamino)benzoic acid

C15H14N2O3 — CID 110468304

IUPAC2-(3-pyridin-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccn1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c18-14(9-8-11-5-3-4-10-16-11)17-13-7-2-1-6-12(13)15(19)20/h1-7,10H,8-9H2,(H,17,18)(H,19,20)
InChIKeyMLWFHBBUQCIFJP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.35
Rot. Bonds5

About 2-(3-pyridin-2-ylpropanoylamino)benzoic acid

2-(3-pyridin-2-ylpropanoylamino)benzoic acid (PubChem CID 110468304) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(3-pyridin-2-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(3-pyridin-2-ylpropanoylamino)benzoic acid
PubChem CID110468304
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(3-pyridin-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccn1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c18-14(9-8-11-5-3-4-10-16-11)17-13-7-2-1-6-12(13)15(19)20/h1-7,10H,8-9H2,(H,17,18)(H,19,20)
InChIKeyMLWFHBBUQCIFJP-UHFFFAOYSA-N
XLogP2.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-pyridin-2-ylpropanoylamino)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

2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 114289600
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
N-(1H-imidazol-2-yl)-3-pyridin-2-ylpropanamide
CID 78981098

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-(3-pyridin-2-ylpropanoylamino)benzoic acid (CID 110468304) is 2-(3-pyridin-2-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-(3-pyridin-2-ylpropanoylamino)benzoic acid is O=C(CCc1ccccn1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The InChIKey is MLWFHBBUQCIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(9-8-11-5-3-4-10-16-11)17-13-7-2-1-6-12(13)15(19)20/h1-7,10H,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3-pyridin-2-ylpropanoylamino)benzoic acid?
2-(3-pyridin-2-ylpropanoylamino)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 110468304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).