1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid

C10H14N2O3 — CID 66844870

IUPAC1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)cn(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)11-8-4-7(10(14)15)5-12(3)9(8)13/h4-6,11H,1-3H3,(H,14,15)
InChIKeyHICCPDRPJAEVPN-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.90
Rot. Bonds3

About 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid

1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 66844870) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID66844870
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)cn(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)11-8-4-7(10(14)15)5-12(3)9(8)13/h4-6,11H,1-3H3,(H,14,15)
InChIKeyHICCPDRPJAEVPN-UHFFFAOYSA-N
XLogP0.90
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-oxo-5-(propan-2-ylamino)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 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid (CID 66844870) is 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid is CC(C)Nc1cc(C(=O)O)cn(C)c1=O.
What is the InChIKey of 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is HICCPDRPJAEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)11-8-4-7(10(14)15)5-12(3)9(8)13/h4-6,11H,1-3H3,(H,14,15).
What are the key properties of 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 66844870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).