3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile

C15H19ClN4 — CID 107057553

IUPAC3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C3CCCC3)CC2)c1Cl
InChIInChI=1S/C15H19ClN4/c16-14-12(11-17)5-6-18-15(14)20-9-7-19(8-10-20)13-3-1-2-4-13/h5-6,13H,1-4,7-10H2
InChIKeyGBWUBFAJHMTICS-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.67
Rot. Bonds2

About 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile

3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile (PubChem CID 107057553) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
PubChem CID107057553
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C3CCCC3)CC2)c1Cl
InChIInChI=1S/C15H19ClN4/c16-14-12(11-17)5-6-18-15(14)20-9-7-19(8-10-20)13-3-1-2-4-13/h5-6,13H,1-4,7-10H2
InChIKeyGBWUBFAJHMTICS-UHFFFAOYSA-N
XLogP2.67
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile 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 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile (CID 107057553) is 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C3CCCC3)CC2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile?
The InChIKey is GBWUBFAJHMTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-14-12(11-17)5-6-18-15(14)20-9-7-19(8-10-20)13-3-1-2-4-13/h5-6,13H,1-4,7-10H2.
What are the key properties of 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile?
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile has a molecular weight of 290.80 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 107057553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).