5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid

C15H21ClN2O3 — CID 83036892

IUPAC5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCC1(CC)CC(Nc2ncc(C(=O)O)cc2Cl)CCO1
InChIInChI=1S/C15H21ClN2O3/c1-3-15(4-2)8-11(5-6-21-15)18-13-12(16)7-10(9-17-13)14(19)20/h7,9,11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGZIRSKZEUCSUDF-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.58
Rot. Bonds5

About 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 83036892) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID83036892
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCC1(CC)CC(Nc2ncc(C(=O)O)cc2Cl)CCO1
InChIInChI=1S/C15H21ClN2O3/c1-3-15(4-2)8-11(5-6-21-15)18-13-12(16)7-10(9-17-13)14(19)20/h7,9,11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGZIRSKZEUCSUDF-UHFFFAOYSA-N
XLogP3.58
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[(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

Related Compounds

3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 83039460
5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
CID 114100429
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
2-[(2,2-diethyloxan-4-yl)amino]-5-methylbenzoic acid
CID 83036889
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
5-chloro-N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 83039415
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid (CID 83036892) is 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid is CCC1(CC)CC(Nc2ncc(C(=O)O)cc2Cl)CCO1.
What is the InChIKey of 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is GZIRSKZEUCSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-15(4-2)8-11(5-6-21-15)18-13-12(16)7-10(9-17-13)14(19)20/h7,9,11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 312.80 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 83036892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).