6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile

C13H15N3O2 — CID 14156396

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C13H15N3O2/c14-9-11-1-2-12(15-10-11)16-5-3-13(4-6-16)17-7-8-18-13/h1-2,10H,3-8H2
InChIKeyZFDLJJGPZBTRGK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.30
Rot. Bonds1

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile (PubChem CID 14156396) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile
PubChem CID14156396
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C13H15N3O2/c14-9-11-1-2-12(15-10-11)16-5-3-13(4-6-16)17-7-8-18-13/h1-2,10H,3-8H2
InChIKeyZFDLJJGPZBTRGK-UHFFFAOYSA-N
XLogP1.30
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile (CID 14156396) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile?
The InChIKey is ZFDLJJGPZBTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-11-1-2-12(15-10-11)16-5-3-13(4-6-16)17-7-8-18-13/h1-2,10H,3-8H2.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 14156396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).