5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile

C20H24N4 — CID 133435800

IUPAC5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCCCC1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N4/c1-2-6-20-16-24(19-10-9-18(13-21)22-14-19)12-11-23(20)15-17-7-4-3-5-8-17/h3-5,7-10,14,20H,2,6,11-12,15-16H2,1H3
InChIKeyIKVCWJHFPHGWNB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.44
Rot. Bonds5

About 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile

5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 133435800) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID133435800
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCCCC1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N4/c1-2-6-20-16-24(19-10-9-18(13-21)22-14-19)12-11-23(20)15-17-7-4-3-5-8-17/h3-5,7-10,14,20H,2,6,11-12,15-16H2,1H3
InChIKeyIKVCWJHFPHGWNB-UHFFFAOYSA-N
XLogP3.44
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-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 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile (CID 133435800) is 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile is CCCC1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1.
What is the InChIKey of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is IKVCWJHFPHGWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-6-20-16-24(19-10-9-18(13-21)22-14-19)12-11-23(20)15-17-7-4-3-5-8-17/h3-5,7-10,14,20H,2,6,11-12,15-16H2,1H3.
What are the key properties of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 133435800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).