Basic information
- Standard SMILES
CC[C@@H](Nc1ccc(C#N)c(Nc2ccc3ncccc3c2)n1)C(N)=O- InChIKey
SFCQBUYLJKQVPF-OAHLLOKOSA-N- Molecular formula
- C19H18N6O
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15420922
Names & identifiers
- Preferred name
- (R)-2-(5-cyano-6-(quinolin-6-ylamino)pyridin-2-ylamino)butanamide
- IUPAC
- (2R)-2-[[5-cyano-6-(quinolin-6-ylamino)-2-pyridinyl]amino]butanamide
Names & synonyms
SCHEMBL9107210SFCQBUYLJKQVPF-OAHLLOKOSA-N(R)-2-(5-cyano-6-(quinolin-6-ylamino)pyridin-2-ylamino)butanamide
Database identifiers
- PubChem CID
- 67775481
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Linked notes
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