3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile

C13H15N3 — CID 67050155

IUPAC3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1C12CCCN(CC1)C2
InChIInChI=1S/C13H15N3/c14-9-12-11(3-1-6-15-12)13-4-2-7-16(10-13)8-5-13/h1,3,6H,2,4-5,7-8,10H2
InChIKeyRYKJSVQDUILHLD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.69
Rot. Bonds1

About 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile

3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile (PubChem CID 67050155) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile
PubChem CID67050155
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1C12CCCN(CC1)C2
InChIInChI=1S/C13H15N3/c14-9-12-11(3-1-6-15-12)13-4-2-7-16(10-13)8-5-13/h1,3,6H,2,4-5,7-8,10H2
InChIKeyRYKJSVQDUILHLD-UHFFFAOYSA-N
XLogP1.69
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile (CID 67050155) is 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile is N#Cc1ncccc1C12CCCN(CC1)C2.
What is the InChIKey of 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile?
The InChIKey is RYKJSVQDUILHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-12-11(3-1-6-15-12)13-4-2-7-16(10-13)8-5-13/h1,3,6H,2,4-5,7-8,10H2.
What are the key properties of 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile?
3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[3.2.1]octan-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 67050155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).