4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile

C13H15N5O — CID 167930554

IUPAC4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1CN1CC(N2CCNC2=O)C1
InChIInChI=1S/C13H15N5O/c14-5-11-6-15-2-1-10(11)7-17-8-12(9-17)18-4-3-16-13(18)19/h1-2,6,12H,3-4,7-9H2,(H,16,19)
InChIKeyGMSDUPAHHUMWKP-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.16
Rot. Bonds3

About 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile

4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 167930554) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID167930554
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1CN1CC(N2CCNC2=O)C1
InChIInChI=1S/C13H15N5O/c14-5-11-6-15-2-1-10(11)7-17-8-12(9-17)18-4-3-16-13(18)19/h1-2,6,12H,3-4,7-9H2,(H,16,19)
InChIKeyGMSDUPAHHUMWKP-UHFFFAOYSA-N
XLogP0.16
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile (CID 167930554) is 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cnccc1CN1CC(N2CCNC2=O)C1.
What is the InChIKey of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is GMSDUPAHHUMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-5-11-6-15-2-1-10(11)7-17-8-12(9-17)18-4-3-16-13(18)19/h1-2,6,12H,3-4,7-9H2,(H,16,19).
What are the key properties of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 167930554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).