4-[5-(1,4-Diazatricyclo[4.3.1.13,8]undec-4-yl)pyridin-3-yl]benzonitrile
Basic information
- Standard SMILES
N#Cc1ccc(-c2cncc(N3CC4CC5CC3CN(C5)C4)c2)cc1- InChIKey
ZJNLAVSXJIKECX-UHFFFAOYSA-N- Molecular formula
- C21H22N4
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 4-[5-(1,4-Diazatricyclo[4.3.1.13,8]undec-4-yl)pyridin-3-yl]benzonitrile
- IUPAC
- 4-[5-(1,4-diazatricyclo[4.3.1.13,8]undecan-4-yl)-3-pyridinyl]benzonitrile
Names & synonyms
SCHEMBL3777781ZJNLAVSXJIKECX-UHFFFAOYSA-N4-[5-(1,4-diazatricyclo[4.3.1.13,8]undec-4-yl)pyridin-3-yl]benzonitrile
Database identifiers
- PubChem CID
- 49869433
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Related reactions
1 records
Compound notes
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