6-(methylcarbamoyl)pyridine-2-carboxylic acid

C8H8N2O3 — CID 43558273

IUPAC6-(methylcarbamoyl)pyridine-2-carboxylic acid
SMILESCNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKeyNPBRDFPBRHOBAK-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.14
Rot. Bonds2

About 6-(methylcarbamoyl)pyridine-2-carboxylic acid

6-(methylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558273) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-(methylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(methylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558273
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name6-(methylcarbamoyl)pyridine-2-carboxylic acid
SMILESCNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKeyNPBRDFPBRHOBAK-UHFFFAOYSA-N
XLogP0.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(methylcarbamoyl)pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 6-(methylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(methylcarbamoyl)pyridine-2-carboxylic acid (CID 43558273) is 6-(methylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(methylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(methylcarbamoyl)pyridine-2-carboxylic acid is CNC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(methylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is NPBRDFPBRHOBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13).
What are the key properties of 6-(methylcarbamoyl)pyridine-2-carboxylic acid?
6-(methylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).