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

C15H22N4 — CID 81061155

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCN(c2cc(C)nc(C)c2C#N)CC1C
InChIInChI=1S/C15H22N4/c1-5-18-6-7-19(10-12(18)3)15-8-11(2)17-13(4)14(15)9-16/h8,12H,5-7,10H2,1-4H3
InChIKeyGXAREALPJKECSR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.10
Rot. Bonds2

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

4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81061155) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81061155
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN1CCN(c2cc(C)nc(C)c2C#N)CC1C
InChIInChI=1S/C15H22N4/c1-5-18-6-7-19(10-12(18)3)15-8-11(2)17-13(4)14(15)9-16/h8,12H,5-7,10H2,1-4H3
InChIKeyGXAREALPJKECSR-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81061155) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is CCN1CCN(c2cc(C)nc(C)c2C#N)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GXAREALPJKECSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-18-6-7-19(10-12(18)3)15-8-11(2)17-13(4)14(15)9-16/h8,12H,5-7,10H2,1-4H3.
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-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 4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81061155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).