6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile

C14H16N4O — CID 50952305

IUPAC6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CC2)CNC(=O)C3)n1
InChIInChI=1S/C14H16N4O/c15-9-11-2-1-3-12(17-11)18-6-4-14(5-7-18)8-13(19)16-10-14/h1-3H,4-8,10H2,(H,16,19)
InChIKeyIEKMWLCTVBNSAT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.06
Rot. Bonds1

About 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile

6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile (PubChem CID 50952305) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile
PubChem CID50952305
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CC2)CNC(=O)C3)n1
InChIInChI=1S/C14H16N4O/c15-9-11-2-1-3-12(17-11)18-6-4-14(5-7-18)8-13(19)16-10-14/h1-3H,4-8,10H2,(H,16,19)
InChIKeyIEKMWLCTVBNSAT-UHFFFAOYSA-N
XLogP1.06
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile (CID 50952305) is 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCC3(CC2)CNC(=O)C3)n1.
What is the InChIKey of 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile?
The InChIKey is IEKMWLCTVBNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-9-11-2-1-3-12(17-11)18-6-4-14(5-7-18)8-13(19)16-10-14/h1-3H,4-8,10H2,(H,16,19).
What are the key properties of 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile?
6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 50952305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).