6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile

C21H23N3O — CID 171958174

IUPAC6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)n1
InChIInChI=1S/C21H23N3O/c22-14-17-8-4-11-20(23-17)21(25)12-18-9-5-10-19(13-21)24(18)15-16-6-2-1-3-7-16/h1-4,6-8,11,18-19,25H,5,9-10,12-13,15H2
InChIKeyPJHBASKKYQVSPC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.36
Rot. Bonds3

About 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile

6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile (PubChem CID 171958174) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile
PubChem CID171958174
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)n1
InChIInChI=1S/C21H23N3O/c22-14-17-8-4-11-20(23-17)21(25)12-18-9-5-10-19(13-21)24(18)15-16-6-2-1-3-7-16/h1-4,6-8,11,18-19,25H,5,9-10,12-13,15H2
InChIKeyPJHBASKKYQVSPC-UHFFFAOYSA-N
XLogP3.36
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245
9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957974
6-(8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-2-carbonitrile
CID 171943972
9-benzyl-3-[(2,6-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962131
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
9-benzyl-3-(2-methoxynaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957410
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964952
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704

Frequently Asked Questions

What is the IUPAC name of 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile (CID 171958174) is 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile is N#Cc1cccc(C2(O)CC3CCCC(C2)N3Cc2ccccc2)n1.
What is the InChIKey of 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile?
The InChIKey is PJHBASKKYQVSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-14-17-8-4-11-20(23-17)21(25)12-18-9-5-10-19(13-21)24(18)15-16-6-2-1-3-7-16/h1-4,6-8,11,18-19,25H,5,9-10,12-13,15H2.
What are the key properties of 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile?
6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile has a molecular weight of 333.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-benzyl-3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 171958174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).