Basic information
- Standard SMILES
O=C(NCN1CC=C(c2ccccn2)CC1)c1cccc(Cl)c1- InChIKey
PISCJWKLARYKMX-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1138399
Names & identifiers
- Preferred name
- 3-chloro-N-(3',6'-dihydro-2,4'-bipyridin-1'(2'H)-ylmethyl)benzamide
- IUPAC
- 3-chloro-N-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzamide
Names & synonyms
SCHEMBL4010998PISCJWKLARYKMX-UHFFFAOYSA-N3-chloro-N-(3',6'-dihydro-2,4'-bipyridin-1'(2'H)-ylmethyl)benzamide
Database identifiers
- PubChem CID
- 68876432
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
Loading…