2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid

C15H22N2O3 — CID 83029239

IUPAC2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCC1(CC)CC(Nc2ncccc2C(=O)O)CCO1
InChIInChI=1S/C15H22N2O3/c1-3-15(4-2)10-11(7-9-20-15)17-13-12(14(18)19)6-5-8-16-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCTGRWWUEVQXOGQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid

2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 83029239) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID83029239
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCC1(CC)CC(Nc2ncccc2C(=O)O)CCO1
InChIInChI=1S/C15H22N2O3/c1-3-15(4-2)10-11(7-9-20-15)17-13-12(14(18)19)6-5-8-16-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCTGRWWUEVQXOGQ-UHFFFAOYSA-N
XLogP2.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-diethyloxan-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 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid (CID 83029239) is 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid is CCC1(CC)CC(Nc2ncccc2C(=O)O)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is CTGRWWUEVQXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-15(4-2)10-11(7-9-20-15)17-13-12(14(18)19)6-5-8-16-13/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 83029239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).