6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile

C14H20N4 — CID 64978952

IUPAC6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCCC1CN(c2cccc(C#N)n2)C(CC)CN1
InChIInChI=1S/C14H20N4/c1-3-11-10-18(13(4-2)9-16-11)14-7-5-6-12(8-15)17-14/h5-7,11,13,16H,3-4,9-10H2,1-2H3
InChIKeySWBUCHNMXDFDCL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.92
Rot. Bonds3

About 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile

6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 64978952) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID64978952
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCCC1CN(c2cccc(C#N)n2)C(CC)CN1
InChIInChI=1S/C14H20N4/c1-3-11-10-18(13(4-2)9-16-11)14-7-5-6-12(8-15)17-14/h5-7,11,13,16H,3-4,9-10H2,1-2H3
InChIKeySWBUCHNMXDFDCL-UHFFFAOYSA-N
XLogP1.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
6-(2,5-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64983613
4-chloro-2-(2,5-diethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106596040
2,5-diethyl-1-(5-methyl-2-pyridinyl)piperazine
CID 64979037
3-[(2,5-diethylpiperazin-1-yl)methyl]benzonitrile
CID 64977771
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128975814
2-(2,5-diethylpiperazin-1-yl)-5-nitrobenzonitrile
CID 64979182
3-(2,5-diethylpiperazin-1-yl)-2H-isoquinolin-1-one
CID 64979150
4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978344
3-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzonitrile
CID 64978138
methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate
CID 64979051

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile (CID 64978952) is 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile is CCC1CN(c2cccc(C#N)n2)C(CC)CN1.
What is the InChIKey of 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is SWBUCHNMXDFDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-11-10-18(13(4-2)9-16-11)14-7-5-6-12(8-15)17-14/h5-7,11,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile?
6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64978952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).