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

C13H17N5 — CID 66201042

IUPAC6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCN(C3CNC3)CC2)n1
InChIInChI=1S/C13H17N5/c14-8-11-2-1-3-13(16-11)18-6-4-17(5-7-18)12-9-15-10-12/h1-3,12,15H,4-7,9-10H2
InChIKeyKKAOHNRFWIQOCK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.05
Rot. Bonds2

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

6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 66201042) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID66201042
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCN(C3CNC3)CC2)n1
InChIInChI=1S/C13H17N5/c14-8-11-2-1-3-13(16-11)18-6-4-17(5-7-18)12-9-15-10-12/h1-3,12,15H,4-7,9-10H2
InChIKeyKKAOHNRFWIQOCK-UHFFFAOYSA-N
XLogP0.05
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 66201042) is 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCN(C3CNC3)CC2)n1.
What is the InChIKey of 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is KKAOHNRFWIQOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-8-11-2-1-3-13(16-11)18-6-4-17(5-7-18)12-9-15-10-12/h1-3,12,15H,4-7,9-10H2.
What are the key properties of 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 66201042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).