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

C11H14N2O3 — CID 82739701

IUPAC4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid
SMILESCN(c1ccnc(C(=O)O)c1)C1CCOC1
InChIInChI=1S/C11H14N2O3/c1-13(9-3-5-16-7-9)8-2-4-12-10(6-8)11(14)15/h2,4,6,9H,3,5,7H2,1H3,(H,14,15)
InChIKeyMKXJNDNRGGRBDI-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.00
Rot. Bonds3

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

4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid (PubChem CID 82739701) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid
PubChem CID82739701
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid
SMILESCN(c1ccnc(C(=O)O)c1)C1CCOC1
InChIInChI=1S/C11H14N2O3/c1-13(9-3-5-16-7-9)8-2-4-12-10(6-8)11(14)15/h2,4,6,9H,3,5,7H2,1H3,(H,14,15)
InChIKeyMKXJNDNRGGRBDI-UHFFFAOYSA-N
XLogP1.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl(oxolan-3-yl)amino]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 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid (CID 82739701) is 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid is CN(c1ccnc(C(=O)O)c1)C1CCOC1.
What is the InChIKey of 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is MKXJNDNRGGRBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(9-3-5-16-7-9)8-2-4-12-10(6-8)11(14)15/h2,4,6,9H,3,5,7H2,1H3,(H,14,15).
What are the key properties of 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid?
4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 82739701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).