Basic information
- Standard SMILES
O=C(NCC(O)CN1CCc2ccccc2C1)c1ccccc1-c1ccccn1- InChIKey
HIPFTGZPHHAYGJ-UHFFFAOYSA-N- Molecular formula
- C24H25N3O2
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.19467705
Names & identifiers
- Preferred name
- N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(pyridin-2-yl)benzamide
- IUPAC
- N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide
Names & synonyms
CHEMBL3985527SCHEMBL15824229SCHEMBL32667740HIPFTGZPHHAYGJ-UHFFFAOYSA-NBDBM176831US9675614, 12N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 76903070
- ChEMBL
CHEMBL3985527
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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