2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile

C14H18N4O — CID 142313551

IUPAC2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCOC2(CCNCC2)C1
InChIInChI=1S/C14H18N4O/c15-10-12-2-1-5-17-13(12)18-8-9-19-14(11-18)3-6-16-7-4-14/h1-2,5,16H,3-4,6-9,11H2
InChIKeyKCNBNDWZPCPOKH-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.91
Rot. Bonds1

About 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile

2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile (PubChem CID 142313551) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
PubChem CID142313551
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCOC2(CCNCC2)C1
InChIInChI=1S/C14H18N4O/c15-10-12-2-1-5-17-13(12)18-8-9-19-14(11-18)3-6-16-7-4-14/h1-2,5,16H,3-4,6-9,11H2
InChIKeyKCNBNDWZPCPOKH-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 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile (CID 142313551) is 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCOC2(CCNCC2)C1.
What is the InChIKey of 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
The InChIKey is KCNBNDWZPCPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-12-2-1-5-17-13(12)18-8-9-19-14(11-18)3-6-16-7-4-14/h1-2,5,16H,3-4,6-9,11H2.
What are the key properties of 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile?
2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-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 2-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 142313551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).