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

C15H21ClN2O3 — CID 83037052

IUPAC6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCC1(CC)CC(Nc2nc(Cl)ccc2C(=O)O)CCO1
InChIInChI=1S/C15H21ClN2O3/c1-3-15(4-2)9-10(7-8-21-15)17-13-11(14(19)20)5-6-12(16)18-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHYXNIQNRPFFGTB-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.58
Rot. Bonds5

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

6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 83037052) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID83037052
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCCC1(CC)CC(Nc2nc(Cl)ccc2C(=O)O)CCO1
InChIInChI=1S/C15H21ClN2O3/c1-3-15(4-2)9-10(7-8-21-15)17-13-11(14(19)20)5-6-12(16)18-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHYXNIQNRPFFGTB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-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

Related Compounds

2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83036892
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyridine-3-carbothioamide
CID 83036856
2-[(2,2-diethyloxan-4-yl)amino]-5-methylbenzoic acid
CID 83036889
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
CID 103889061
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
5-chloro-N-(2,2-diethyloxan-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 83039460
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
6-N-(2,2-diethyloxan-4-yl)pyridine-2,3,6-triamine
CID 83026937
3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580
4-chloro-2-[(2,2-diethyloxan-4-yl)amino]benzenecarbothioamide
CID 83036686

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid (CID 83037052) is 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid is CCC1(CC)CC(Nc2nc(Cl)ccc2C(=O)O)CCO1.
What is the InChIKey of 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is HYXNIQNRPFFGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-15(4-2)9-10(7-8-21-15)17-13-11(14(19)20)5-6-12(16)18-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[(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 6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 83037052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).