2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid

C14H20N2O2 — CID 61004045

IUPAC2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-9-7-10(2)16-13(12(9)14(17)18)15-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFVDDTMOLKCNATD-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.00
Rot. Bonds4

About 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61004045) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61004045
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-9-7-10(2)16-13(12(9)14(17)18)15-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFVDDTMOLKCNATD-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylmethylamino)-4,6-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

Related Compounds

2-[(1,1-dioxothiolan-2-yl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 81040091
4,6-dimethyl-2-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 80585482
2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 62414994
2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114093951
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 43428254
4,6-dimethyl-2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55027428
4,6-dimethyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 63829797
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60677761
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63539189
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 61004045) is 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is FVDDTMOLKCNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-10(2)16-13(12(9)14(17)18)15-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61004045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).