2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile

C17H19N5 — CID 33207768

IUPAC2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CCc3ccccn3)CC2)c1
InChIInChI=1S/C17H19N5/c18-14-15-4-7-20-17(13-15)22-11-9-21(10-12-22)8-5-16-3-1-2-6-19-16/h1-4,6-7,13H,5,8-12H2
InChIKeyTVAGZDBYVCTPHJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 33207768) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID33207768
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CCc3ccccn3)CC2)c1
InChIInChI=1S/C17H19N5/c18-14-15-4-7-20-17(13-15)22-11-9-21(10-12-22)8-5-16-3-1-2-6-19-16/h1-4,6-7,13H,5,8-12H2
InChIKeyTVAGZDBYVCTPHJ-UHFFFAOYSA-N
XLogP1.71
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
4-[4-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]sulfonylphenyl]benzonitrile
CID 24730995
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171327083
2-[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 78333510
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
CID 63339911
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
CID 171327082
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 33207768) is 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CCc3ccccn3)CC2)c1.
What is the InChIKey of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is TVAGZDBYVCTPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-14-15-4-7-20-17(13-15)22-11-9-21(10-12-22)8-5-16-3-1-2-6-19-16/h1-4,6-7,13H,5,8-12H2.
What are the key properties of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 33207768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).