5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid

C8H8N2O4 — CID 135324156

IUPAC5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)c[nH]c1=O
InChIInChI=1S/C8H8N2O4/c1-9-6(11)5-2-4(8(13)14)3-10-7(5)12/h2-3H,1H3,(H,9,11)(H,10,12)(H,13,14)
InChIKeyHTYZTUSDYDGUKG-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.57
Rot. Bonds2

About 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 135324156) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID135324156
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)c[nH]c1=O
InChIInChI=1S/C8H8N2O4/c1-9-6(11)5-2-4(8(13)14)3-10-7(5)12/h2-3H,1H3,(H,9,11)(H,10,12)(H,13,14)
InChIKeyHTYZTUSDYDGUKG-UHFFFAOYSA-N
XLogP-0.57
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(methylcarbamoyl)-6-oxo-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 135324156) is 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid is CNC(=O)c1cc(C(=O)O)c[nH]c1=O.
What is the InChIKey of 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is HTYZTUSDYDGUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-9-6(11)5-2-4(8(13)14)3-10-7(5)12/h2-3H,1H3,(H,9,11)(H,10,12)(H,13,14).
What are the key properties of 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 135324156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).