Basic information
- Standard SMILES
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)ccc1[N+](=O)[O-])c1ccc(F)cc1- InChIKey
BJOODOGYJILOHU-NSHDSACASA-N- Molecular formula
- C19H19FN6O2
- Average molar mass
- 382.4 g/mol
Names & identifiers
- Preferred name
- (S)-N6-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(4-fluorophenyl)ethyl)-3-nitropyridine-2,6-diamine
- IUPAC
- 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
Names & synonyms
SCHEMBL3130155BJOODOGYJILOHU-NSHDSACASA-N(S)-N6-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(4-fluorophenyl)ethyl)-3-nitropyridine-2,6-diamine
Database identifiers
- PubChem CID
- 68522604
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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