2-(pyridin-3-ylmethylcarbamoyl)benzoic acid

C14H12N2O3 — CID 654317

IUPAC2-(pyridin-3-ylmethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H12N2O3/c17-13(16-9-10-4-3-7-15-8-10)11-5-1-2-6-12(11)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyQKTSHBZADBQZMY-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.71
Rot. Bonds4

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

2-(pyridin-3-ylmethylcarbamoyl)benzoic acid (PubChem CID 654317) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylcarbamoyl)benzoic acid
PubChem CID654317
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(pyridin-3-ylmethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H12N2O3/c17-13(16-9-10-4-3-7-15-8-10)11-5-1-2-6-12(11)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyQKTSHBZADBQZMY-UHFFFAOYSA-N
XLogP1.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid (CID 654317) is 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
The InChIKey is QKTSHBZADBQZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13(16-9-10-4-3-7-15-8-10)11-5-1-2-6-12(11)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid?
2-(pyridin-3-ylmethylcarbamoyl)benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylcarbamoyl)benzoic acid is sourced from PubChem (CID 654317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).