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

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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).