Basic information
- Standard SMILES
CC(C)CCNCc1ccc(Oc2cnc(C(N)=O)cn2)c(F)c1- InChIKey
KBJFPTRVYNXNLR-UHFFFAOYSA-N- Molecular formula
- C17H21FN4O2
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 5-{2-Fluoro-4-[(3-methyl-butylamino)-methyl]-phenoxy}-pyrazine-2-carboxylic acid amide
- IUPAC
- 5-[2-fluoro-4-[(3-methylbutylamino)methyl]phenoxy]pyrazine-2-carboxamide
Names & synonyms
SCHEMBL3698057KBJFPTRVYNXNLR-UHFFFAOYSA-N5-{2-Fluoro-4-[(3-methyl-butylamino)-methyl]-phenoxy}-pyrazine-2-carboxylic acid amide
Database identifiers
- PubChem CID
- 10088136
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Related reactions
4 records
Compound notes
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