4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile

C13H17N5 — CID 66196783

IUPAC4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CC(N3CCNCC3)C2)ccn1
InChIInChI=1S/C13H17N5/c14-8-11-7-12(1-2-16-11)18-9-13(10-18)17-5-3-15-4-6-17/h1-2,7,13,15H,3-6,9-10H2
InChIKeyBJMADTXGEHPWFI-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.05
Rot. Bonds2

About 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile

4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile (PubChem CID 66196783) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
PubChem CID66196783
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CC(N3CCNCC3)C2)ccn1
InChIInChI=1S/C13H17N5/c14-8-11-7-12(1-2-16-11)18-9-13(10-18)17-5-3-15-4-6-17/h1-2,7,13,15H,3-6,9-10H2
InChIKeyBJMADTXGEHPWFI-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 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile (CID 66196783) is 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CC(N3CCNCC3)C2)ccn1.
What is the InChIKey of 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is BJMADTXGEHPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-8-11-7-12(1-2-16-11)18-9-13(10-18)17-5-3-15-4-6-17/h1-2,7,13,15H,3-6,9-10H2.
What are the key properties of 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile?
4-(3-piperazin-1-ylazetidin-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 4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 66196783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).