6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile

C14H18N4O — CID 118745651

IUPAC6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC3(CNCCO3)C2)n1
InChIInChI=1S/C14H18N4O/c15-9-12-3-1-4-13(17-12)18-7-2-5-14(11-18)10-16-6-8-19-14/h1,3-4,16H,2,5-8,10-11H2
InChIKeyAULPUKKWBDWVKY-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.91
Rot. Bonds1

About 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile

6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile (PubChem CID 118745651) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile
PubChem CID118745651
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC3(CNCCO3)C2)n1
InChIInChI=1S/C14H18N4O/c15-9-12-3-1-4-13(17-12)18-7-2-5-14(11-18)10-16-6-8-19-14/h1,3-4,16H,2,5-8,10-11H2
InChIKeyAULPUKKWBDWVKY-UHFFFAOYSA-N
XLogP0.91
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile (CID 118745651) is 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCCC3(CNCCO3)C2)n1.
What is the InChIKey of 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile?
The InChIKey is AULPUKKWBDWVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-9-12-3-1-4-13(17-12)18-7-2-5-14(11-18)10-16-6-8-19-14/h1,3-4,16H,2,5-8,10-11H2.
What are the key properties of 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile?
6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 118745651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).