2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile

C14H17N5O — CID 47079116

IUPAC2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C14H17N5O/c15-9-11-3-1-5-16-13(11)18-7-2-4-12(10-18)19-8-6-17-14(19)20/h1,3,5,12H,2,4,6-8,10H2,(H,17,20)
InChIKeyZGNCAEWEFBNZRZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.95
Rot. Bonds2

About 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile

2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 47079116) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID47079116
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C14H17N5O/c15-9-11-3-1-5-16-13(11)18-7-2-4-12(10-18)19-8-6-17-14(19)20/h1,3,5,12H,2,4,6-8,10H2,(H,17,20)
InChIKeyZGNCAEWEFBNZRZ-UHFFFAOYSA-N
XLogP0.95
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 47079116) is 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZGNCAEWEFBNZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-9-11-3-1-5-16-13(11)18-7-2-4-12(10-18)19-8-6-17-14(19)20/h1,3,5,12H,2,4,6-8,10H2,(H,17,20).
What are the key properties of 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 47079116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).