2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile

C19H19N3O — CID 53322642

IUPAC2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(OC2C[C@H]3CC[C@@H](C2)N3)n1
InChIInChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16?
InChIKeySCEZKNSHVTVFNV-XYPWUTKMSA-N
MW305.38 g/mol
LogP3.28
Rot. Bonds3

About 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile

2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile (PubChem CID 53322642) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile
PubChem CID53322642
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(OC2C[C@H]3CC[C@@H](C2)N3)n1
InChIInChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16?
InChIKeySCEZKNSHVTVFNV-XYPWUTKMSA-N
XLogP3.28
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile with MolForge

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Related Compounds

6-[(4,6-Diphenyl-2-pyridyl)oxy]hexanonitrile
CID 10337448
exo-2-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-6-(2-cyanophenyl)isonicotinonitrile
CID 53317411
exo-2-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-6-phenylisonicotinonitrile
CID 53321331
exo-(1R,5S)-3-(6-phenylpyridin-2-yloxy)-8-azabicyclo[3.2.1]octane
CID 53323531
exo-3-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-(pyridin-2-yl)benzonitrile
CID 53320020
2-(3-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-cyanophenyl)nicotinonitrile
CID 53322643
2-(8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yloxy)-quinoline
CID 11482569
3-Cyano-2-ethoxy-4,6-diphenylpyridine
CID 678560
US10233152, Example 114
CID 129279636
5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-methoxy-5-(8-azabicyclo(3.2.1)oct-3-yl)oxy-
CID 3048660
3-Fluoro-4-(((6-(piperidin-4-yl)pyridin-2-yl)oxy)methyl)benzonitrile
CID 134611166
3-Fluoro-4-(((6-(4-hydroxypiperidin-4-yl)pyridin-2-yl)oxy)methyl)benzonitrile
CID 167093640

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile?
The IUPAC name of 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile (CID 53322642) is 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile?
The canonical SMILES for 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cccc(OC2C[C@H]3CC[C@@H](C2)N3)n1.
What is the InChIKey of 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile?
The InChIKey is SCEZKNSHVTVFNV-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16?.
What are the key properties of 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile?
2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile has a molecular weight of 305.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 53322642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).