2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid

C15H14N2O3 — CID 43396615

IUPAC2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCc1ccccn1
InChIInChI=1S/C15H14N2O3/c18-14(12-6-1-2-7-13(12)15(19)20)17-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,18)(H,19,20)
InChIKeyMBESOAPVKYYGDH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid

2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid (PubChem CID 43396615) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
PubChem CID43396615
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCc1ccccn1
InChIInChI=1S/C15H14N2O3/c18-14(12-6-1-2-7-13(12)15(19)20)17-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,18)(H,19,20)
InChIKeyMBESOAPVKYYGDH-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-pyridin-2-ylethylcarbamoyl)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-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115548148
2-amino-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115677648
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid (CID 43396615) is 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NCCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid?
The InChIKey is MBESOAPVKYYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(12-6-1-2-7-13(12)15(19)20)17-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid?
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 43396615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).