2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid

C13H11N3O3 — CID 19154891

IUPAC2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCc1cccnc1
InChIInChI=1S/C13H11N3O3/c17-12(16-8-9-3-1-5-14-7-9)11-10(13(18)19)4-2-6-15-11/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyMIAUPUNORAJMBO-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.10
Rot. Bonds4

About 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid

2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 19154891) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID19154891
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCc1cccnc1
InChIInChI=1S/C13H11N3O3/c17-12(16-8-9-3-1-5-14-7-9)11-10(13(18)19)4-2-6-15-11/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyMIAUPUNORAJMBO-UHFFFAOYSA-N
XLogP1.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic 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-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid (CID 19154891) is 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is MIAUPUNORAJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12(16-8-9-3-1-5-14-7-9)11-10(13(18)19)4-2-6-15-11/h1-7H,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19154891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).