Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1ncccc1CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1- InChIKey
IBYHTPNRYBMNRZ-UHFFFAOYSA-N- Molecular formula
- C33H33FN6O3
- Average molar mass
- 580.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (3-((6-(2-cyanophenyl)-2-(3-fluorophenethylamino)nicotinamido)methyl)pyridin-2-yl)methylcarbamate
- IUPAC
- tert-butyl N-[[3-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]methyl]carbamate
Names & synonyms
SCHEMBL1630363IBYHTPNRYBMNRZ-UHFFFAOYSA-Ntert-butyl (3-((6-(2-cyanophenyl)-2-(3-fluorophenethylamino)nicotinamido)methyl)pyridin-2-yl)methylcarbamate
Database identifiers
- PubChem CID
- 57542397
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 951
Related reactions
4 records
Compound notes
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