4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile

C15H19N3O — CID 81060759

IUPAC4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2C3CCC2CC(O)C3)c(C#N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-9-5-15(14(8-16)10(2)17-9)18-11-3-4-12(18)7-13(19)6-11/h5,11-13,19H,3-4,6-7H2,1-2H3
InChIKeyLAWKJQHUTYRQKS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.06
Rot. Bonds1

About 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060759) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060759
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2C3CCC2CC(O)C3)c(C#N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-9-5-15(14(8-16)10(2)17-9)18-11-3-4-12(18)7-13(19)6-11/h5,11-13,19H,3-4,6-7H2,1-2H3
InChIKeyLAWKJQHUTYRQKS-UHFFFAOYSA-N
XLogP2.06
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81060759) is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2C3CCC2CC(O)C3)c(C#N)c(C)n1.
What is the InChIKey of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LAWKJQHUTYRQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-15(14(8-16)10(2)17-9)18-11-3-4-12(18)7-13(19)6-11/h5,11-13,19H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).