3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid

C12H16N2O3 — CID 82754816

IUPAC3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
SMILESCC1OCCC1N(C)c1cnccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8-10(4-6-17-8)14(2)11-7-13-5-3-9(11)12(15)16/h3,5,7-8,10H,4,6H2,1-2H3,(H,15,16)
InChIKeyOBZLJPGBQFKIHA-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds3

About 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid

3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 82754816) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID82754816
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
SMILESCC1OCCC1N(C)c1cnccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8-10(4-6-17-8)14(2)11-7-13-5-3-9(11)12(15)16/h3,5,7-8,10H,4,6H2,1-2H3,(H,15,16)
InChIKeyOBZLJPGBQFKIHA-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-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 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid (CID 82754816) is 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid is CC1OCCC1N(C)c1cnccc1C(=O)O.
What is the InChIKey of 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is OBZLJPGBQFKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-10(4-6-17-8)14(2)11-7-13-5-3-9(11)12(15)16/h3,5,7-8,10H,4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid?
3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 82754816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).