2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile

C16H22N4O — CID 63337910

IUPAC2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C16H22N4O/c1-3-5-14(12-17)19-8-10-20(11-9-19)16(21)15-7-4-6-13(2)18-15/h4,6-7,14H,3,5,8-11H2,1-2H3
InChIKeySQDAJMXQLLEXHY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile

2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile (PubChem CID 63337910) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile
PubChem CID63337910
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C16H22N4O/c1-3-5-14(12-17)19-8-10-20(11-9-19)16(21)15-7-4-6-13(2)18-15/h4,6-7,14H,3,5,8-11H2,1-2H3
InChIKeySQDAJMXQLLEXHY-UHFFFAOYSA-N
XLogP1.84
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile 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 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile (CID 63337910) is 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(C(=O)c2cccc(C)n2)CC1.
What is the InChIKey of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile?
The InChIKey is SQDAJMXQLLEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-5-14(12-17)19-8-10-20(11-9-19)16(21)15-7-4-6-13(2)18-15/h4,6-7,14H,3,5,8-11H2,1-2H3.
What are the key properties of 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile?
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile has a molecular weight of 286.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63337910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).