2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid

C14H20N2O2 — CID 55223076

IUPAC2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCCC2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-10-6-7-12(14(17)18)13(16-10)15-9-8-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyJZKXAHUWQVDMJR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid

2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 55223076) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID55223076
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCCC2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-10-6-7-12(14(17)18)13(16-10)15-9-8-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyJZKXAHUWQVDMJR-UHFFFAOYSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid (CID 55223076) is 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCCC2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is JZKXAHUWQVDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-7-12(14(17)18)13(16-10)15-9-8-11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid?
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 55223076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).