6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid

C11H14N2O2 — CID 131048994

IUPAC6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid
SMILESC=C(C)CNc1cc(C)nc(C(=O)O)c1
InChIInChI=1S/C11H14N2O2/c1-7(2)6-12-9-4-8(3)13-10(5-9)11(14)15/h4-5H,1,6H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyYETROVNHUVBCJQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds4

About 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid

6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid (PubChem CID 131048994) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid
PubChem CID131048994
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid
SMILESC=C(C)CNc1cc(C)nc(C(=O)O)c1
InChIInChI=1S/C11H14N2O2/c1-7(2)6-12-9-4-8(3)13-10(5-9)11(14)15/h4-5H,1,6H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyYETROVNHUVBCJQ-UHFFFAOYSA-N
XLogP2.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-4-(2-methylprop-2-enylamino)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-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid (CID 131048994) is 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid is C=C(C)CNc1cc(C)nc(C(=O)O)c1.
What is the InChIKey of 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid?
The InChIKey is YETROVNHUVBCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)6-12-9-4-8(3)13-10(5-9)11(14)15/h4-5H,1,6H2,2-3H3,(H,12,13)(H,14,15).
What are the key properties of 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid?
6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methylprop-2-enylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 131048994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).