5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile

C11H10N6O — CID 168658238

IUPAC5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C11H10N6O/c12-3-8-1-10(6-14-4-8)17-7-9(2-11(17)18)5-15-16-13/h1,4,6,9H,2,5,7H2
InChIKeyNOXHWLWUFDOMOX-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.62
Rot. Bonds3

About 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile

5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 168658238) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID168658238
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C11H10N6O/c12-3-8-1-10(6-14-4-8)17-7-9(2-11(17)18)5-15-16-13/h1,4,6,9H,2,5,7H2
InChIKeyNOXHWLWUFDOMOX-UHFFFAOYSA-N
XLogP1.62
TPSA105.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]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

Related Compounds

5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168657848
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyrazole-4-carbonitrile
CID 168656986
6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168658371
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886
4-(azidomethyl)-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658342
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-(4-methylphenyl)pyrazole-4-carbonitrile
CID 168656714
4-(azidomethyl)-1-(4-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 168655792
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzonitrile
CID 168656424

Frequently Asked Questions

What is the IUPAC name of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile (CID 168658238) is 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cncc(N2CC(CN=[N+]=[N-])CC2=O)c1.
What is the InChIKey of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NOXHWLWUFDOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-3-8-1-10(6-14-4-8)17-7-9(2-11(17)18)5-15-16-13/h1,4,6,9H,2,5,7H2.
What are the key properties of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 168658238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).