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

C15H22N4 — CID 63621643

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC1CN(c2nc(C)cc(C)c2C#N)CCN1C
InChIInChI=1S/C15H22N4/c1-5-13-10-19(7-6-18(13)4)15-14(9-16)11(2)8-12(3)17-15/h8,13H,5-7,10H2,1-4H3
InChIKeyACGLYEZQFZBUDA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.10
Rot. Bonds2

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

2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 63621643) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID63621643
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC1CN(c2nc(C)cc(C)c2C#N)CCN1C
InChIInChI=1S/C15H22N4/c1-5-13-10-19(7-6-18(13)4)15-14(9-16)11(2)8-12(3)17-15/h8,13H,5-7,10H2,1-4H3
InChIKeyACGLYEZQFZBUDA-UHFFFAOYSA-N
XLogP2.10
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-4-methylpiperazin-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

Related Compounds

4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbenzonitrile
CID 81282499
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699
2-(3-ethyl-4-methylpiperazin-1-yl)-3-methylbenzonitrile
CID 107106901
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyridin-3-amine
CID 63609284
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 154883013

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 63621643) is 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is CCC1CN(c2nc(C)cc(C)c2C#N)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ACGLYEZQFZBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-13-10-19(7-6-18(13)4)15-14(9-16)11(2)8-12(3)17-15/h8,13H,5-7,10H2,1-4H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 63621643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).