6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C10H12N2O4 — CID 62875870

IUPAC6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCNC(=O)Cn1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C10H12N2O4/c1-6-3-4-7(10(15)16)9(14)12(6)5-8(13)11-2/h3-4H,5H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyNAHRGYHVVLEJCP-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.40
Rot. Bonds3

About 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 62875870) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID62875870
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCNC(=O)Cn1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C10H12N2O4/c1-6-3-4-7(10(15)16)9(14)12(6)5-8(13)11-2/h3-4H,5H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyNAHRGYHVVLEJCP-UHFFFAOYSA-N
XLogP-0.40
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-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 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 62875870) is 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CNC(=O)Cn1c(C)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is NAHRGYHVVLEJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-4-7(10(15)16)9(14)12(6)5-8(13)11-2/h3-4H,5H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62875870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).