Basic information
- Standard SMILES
Cc1cccc(Nc2nc(N[C@H](CC(C)C)C(N)=O)cnc2C#N)c1- InChIKey
USGGDFDOSFUNEL-CQSZACIVSA-N- Molecular formula
- C18H22N6O
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.18550935
Names & identifiers
- Preferred name
- (R)-2-(5-cyano-6-(m-tolylamino)pyrazin-2-ylamino)-4-methylpentanamide
- IUPAC
- (2R)-2-[[5-cyano-6-(3-methylanilino)pyrazin-2-yl]amino]-4-methylpentanamide
Names & synonyms
SCHEMBL14956248USGGDFDOSFUNEL-CQSZACIVSA-N(R)-2-(5-cyano-6-(m-tolylamino)pyrazin-2-ylamino)-4-methylpentanamide
Database identifiers
- PubChem CID
- 86685605
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
4 records
Compound notes
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