5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid

C13H18N2O3 — CID 80632758

IUPAC5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-9-7-10(13(16)17)8-14-12(9)15(2)11-3-5-18-6-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyFTQPJXYYDKZEOT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.70
Rot. Bonds3

About 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid

5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 80632758) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID80632758
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-9-7-10(13(16)17)8-14-12(9)15(2)11-3-5-18-6-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyFTQPJXYYDKZEOT-UHFFFAOYSA-N
XLogP1.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-6-[methyl(oxan-4-yl)amino]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 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid (CID 80632758) is 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)C1CCOCC1.
What is the InChIKey of 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is FTQPJXYYDKZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-7-10(13(16)17)8-14-12(9)15(2)11-3-5-18-6-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 80632758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).