5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile

C14H16N4O2 — CID 66783531

IUPAC5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2CC3(CCNCC3)OCC2=O)c1
InChIInChI=1S/C14H16N4O2/c15-6-11-5-12(8-17-7-11)18-10-14(20-9-13(18)19)1-3-16-4-2-14/h5,7-8,16H,1-4,9-10H2
InChIKeyLZXKVMOXHZHKLD-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.44
Rot. Bonds1

About 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile

5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile (PubChem CID 66783531) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
PubChem CID66783531
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(N2CC3(CCNCC3)OCC2=O)c1
InChIInChI=1S/C14H16N4O2/c15-6-11-5-12(8-17-7-11)18-10-14(20-9-13(18)19)1-3-16-4-2-14/h5,7-8,16H,1-4,9-10H2
InChIKeyLZXKVMOXHZHKLD-UHFFFAOYSA-N
XLogP0.44
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile (CID 66783531) is 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile is N#Cc1cncc(N2CC3(CCNCC3)OCC2=O)c1.
What is the InChIKey of 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The InChIKey is LZXKVMOXHZHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-6-11-5-12(8-17-7-11)18-10-14(20-9-13(18)19)1-3-16-4-2-14/h5,7-8,16H,1-4,9-10H2.
What are the key properties of 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 66783531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).