5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid

C13H18N2O2 — CID 96596815

IUPAC5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C2CCCC2)c1N
InChIInChI=1S/C13H18N2O2/c1-7-10(13(16)17)11(9-5-3-4-6-9)12(14)8(2)15-7/h9H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyHDSLLPQQSKGWRY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.64
Rot. Bonds2

About 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid

5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 96596815) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID96596815
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C2CCCC2)c1N
InChIInChI=1S/C13H18N2O2/c1-7-10(13(16)17)11(9-5-3-4-6-9)12(14)8(2)15-7/h9H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyHDSLLPQQSKGWRY-UHFFFAOYSA-N
XLogP2.64
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-cyclopentyl-2,6-dimethylpyridine-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-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid (CID 96596815) is 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid is Cc1nc(C)c(C(=O)O)c(C2CCCC2)c1N.
What is the InChIKey of 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is HDSLLPQQSKGWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7-10(13(16)17)11(9-5-3-4-6-9)12(14)8(2)15-7/h9H,3-6,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid?
5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 96596815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).