1-[3-(Cyclohexylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl]-3-pyridinecarbonitrile
Basic information
- CAS
131919-14-7- Standard SMILES
Cc1c(C#N)c(O)n(CCCNC2CCCCC2)c(=O)c1N=Nc1ccccc1-c1nc(-c2ccccc2)no1- InChIKey
YJKFOWJMJQMNAT-UHFFFAOYSA-N- Molecular formula
- C30H31N7O3
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.24883788
Names & identifiers
- Preferred name
- 1-[3-(Cyclohexylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl]-3-pyridinecarbonitrile
- IUPAC
- 1-[3-(cyclohexylamino)propyl]-2-hydroxy-4-methyl-6-oxo-5-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl]pyridine-3-carbonitrile
Names & synonyms
DTXSID4011006651-[3-(Cyclohexylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl]-3-pyridinecarbonitrile131919-14-7
Database identifiers
- CAS
131919-14-7- PubChem CID
- 165366459
- DTXSID
DTXSID401100665- EC Number
- 603-533-2
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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