2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile

C13H17N5 — CID 66195251

IUPAC2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H17N5/c14-8-11-2-1-3-16-13(11)18-9-12(10-18)17-6-4-15-5-7-17/h1-3,12,15H,4-7,9-10H2
InChIKeyQEDAMCYQHINBND-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.05
Rot. Bonds2

About 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile

2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile (PubChem CID 66195251) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
PubChem CID66195251
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H17N5/c14-8-11-2-1-3-16-13(11)18-9-12(10-18)17-6-4-15-5-7-17/h1-3,12,15H,4-7,9-10H2
InChIKeyQEDAMCYQHINBND-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 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile (CID 66195251) is 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CC(N2CCNCC2)C1.
What is the InChIKey of 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is QEDAMCYQHINBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-8-11-2-1-3-16-13(11)18-9-12(10-18)17-6-4-15-5-7-17/h1-3,12,15H,4-7,9-10H2.
What are the key properties of 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile?
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-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 2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 66195251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).