5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid

C15H22N4O2 — CID 81448228

IUPAC5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H22N4O2/c16-13-9-11(15(20)21)10-17-14(13)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8,16H2,(H,20,21)
InChIKeyWHMDATROMSKFJK-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.43
Rot. Bonds3

About 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid

5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 81448228) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID81448228
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H22N4O2/c16-13-9-11(15(20)21)10-17-14(13)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8,16H2,(H,20,21)
InChIKeyWHMDATROMSKFJK-UHFFFAOYSA-N
XLogP1.43
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 81448228) is 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is WHMDATROMSKFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-13-9-11(15(20)21)10-17-14(13)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8,16H2,(H,20,21).
What are the key properties of 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid?
5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81448228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).