Basic information
- CAS
5925-08-6- Standard SMILES
Cc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1- InChIKey
VJBLJJAOYFZVGA-UHFFFAOYSA-N- Molecular formula
- C17H19N3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.15789762
Names & identifiers
- Preferred name
- 2-Amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile
- IUPAC
- 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile
Names & synonyms
5925-08-62-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile2-amino-6-tert-butyl-4-(4-methylphenyl)nicotinonitrileCambridge id 5925086Oprea1_158468SCHEMBL6255059DTXSID90350460STA005844AB00100989-01
Database identifiers
- CAS
5925-08-6- PubChem CID
- 679609
- DTXSID
DTXSID90350460
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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