6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile

C17H19N5 — CID 133310020

IUPAC6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(c1cccnc1)N1CCN(c2cccc(C#N)n2)CC1
InChIInChI=1S/C17H19N5/c1-14(15-4-3-7-19-13-15)21-8-10-22(11-9-21)17-6-2-5-16(12-18)20-17/h2-7,13-14H,8-11H2,1H3
InChIKeyVCKTZPFIDBTGLC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.23
Rot. Bonds3

About 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile

6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133310020) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133310020
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(c1cccnc1)N1CCN(c2cccc(C#N)n2)CC1
InChIInChI=1S/C17H19N5/c1-14(15-4-3-7-19-13-15)21-8-10-22(11-9-21)17-6-2-5-16(12-18)20-17/h2-7,13-14H,8-11H2,1H3
InChIKeyVCKTZPFIDBTGLC-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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 133310020) is 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile is CC(c1cccnc1)N1CCN(c2cccc(C#N)n2)CC1.
What is the InChIKey of 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is VCKTZPFIDBTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-14(15-4-3-7-19-13-15)21-8-10-22(11-9-21)17-6-2-5-16(12-18)20-17/h2-7,13-14H,8-11H2,1H3.
What are the key properties of 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile?
6-[4-(1-pyridin-3-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 6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133310020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).