5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile

C17H19N5 — CID 86793175

IUPAC5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(c1ccccn1)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C17H19N5/c1-14(17-4-2-3-7-19-17)21-8-10-22(11-9-21)16-6-5-15(12-18)20-13-16/h2-7,13-14H,8-11H2,1H3
InChIKeyKPEBDRFWMYDDPT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.23
Rot. Bonds3

About 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile

5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 86793175) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID86793175
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(c1ccccn1)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C17H19N5/c1-14(17-4-2-3-7-19-17)21-8-10-22(11-9-21)16-6-5-15(12-18)20-13-16/h2-7,13-14H,8-11H2,1H3
InChIKeyKPEBDRFWMYDDPT-UHFFFAOYSA-N
XLogP2.23
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-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

5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 97055762
5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86778895
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146078102
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
CID 110452660
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 86793175) is 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile is CC(c1ccccn1)N1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is KPEBDRFWMYDDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-14(17-4-2-3-7-19-17)21-8-10-22(11-9-21)16-6-5-15(12-18)20-13-16/h2-7,13-14H,8-11H2,1H3.
What are the key properties of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 86793175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).