5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid

C11H12N2O5 — CID 19010310

IUPAC5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid
SMILESCC(=O)N(C)c1cc(C(=O)O)c(C(=O)O)nc1C
InChIInChI=1S/C11H12N2O5/c1-5-8(13(3)6(2)14)4-7(10(15)16)9(12-5)11(17)18/h4H,1-3H3,(H,15,16)(H,17,18)
InChIKeyRGWAVOBBIASENV-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.77
Rot. Bonds3

About 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid

5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid (PubChem CID 19010310) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid
PubChem CID19010310
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid
SMILESCC(=O)N(C)c1cc(C(=O)O)c(C(=O)O)nc1C
InChIInChI=1S/C11H12N2O5/c1-5-8(13(3)6(2)14)4-7(10(15)16)9(12-5)11(17)18/h4H,1-3H3,(H,15,16)(H,17,18)
InChIKeyRGWAVOBBIASENV-UHFFFAOYSA-N
XLogP0.77
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic 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-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid (CID 19010310) is 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid is CC(=O)N(C)c1cc(C(=O)O)c(C(=O)O)nc1C.
What is the InChIKey of 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid?
The InChIKey is RGWAVOBBIASENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-5-8(13(3)6(2)14)4-7(10(15)16)9(12-5)11(17)18/h4H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid?
5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 19010310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).