2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C14H20N4 — CID 65463221

IUPAC2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCNCC2(C)C)n1
InChIInChI=1S/C14H20N4/c1-10-7-11(2)17-13(12(10)8-15)18-6-5-16-9-14(18,3)4/h7,16H,5-6,9H2,1-4H3
InChIKeyLSLXLTZQGIHWIW-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.76
Rot. Bonds1

About 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 65463221) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID65463221
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCNCC2(C)C)n1
InChIInChI=1S/C14H20N4/c1-10-7-11(2)17-13(12(10)8-15)18-6-5-16-9-14(18,3)4/h7,16H,5-6,9H2,1-4H3
InChIKeyLSLXLTZQGIHWIW-UHFFFAOYSA-N
XLogP1.76
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-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 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 65463221) is 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCNCC2(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LSLXLTZQGIHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-7-11(2)17-13(12(10)8-15)18-6-5-16-9-14(18,3)4/h7,16H,5-6,9H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 65463221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).