3-Pyridinecarbonitrile, 2-amino-4-((2-(3,4-dimethoxyphenyl)ethyl)amino)-
Basic information
- CAS
104802-90-6- Standard SMILES
COc1ccc(CCNc2ccnc(N)c2C#N)cc1OC- InChIKey
DYDUQMCKORIYKW-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.14297583
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 2-amino-4-((2-(3,4-dimethoxyphenyl)ethyl)amino)-
- IUPAC
- 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
Names & synonyms
BRN 55982224-Homoveratrylamino-3-cyano-2-aminopyridine104802-90-63-Pyridinecarbonitrile, 2-amino-4-((2-(3,4-dimethoxyphenyl)ethyl)amino)-Nicotinonitrile, 2-amino-4-(homoveratrylamino)-DTXSID20146752RefChem:282053DTXCID10692432-AMINO-4-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}PYRIDINE-3-CARBONITRILE
Database identifiers
- CAS
104802-90-6- PubChem CID
- 3064501
- DTXSID
DTXSID20146752
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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