3,3-dimethyl-8-(morpholin-4-yl)-6-(2-oxo-2-phenylethoxy)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Basic information
- CAS
1219568-17-8- Standard SMILES
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(N3CCOCC3)c2CO1- InChIKey
VWDQAJNYNZXWJO-UHFFFAOYSA-N- Molecular formula
- C23H25N3O4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.18450629
Names & identifiers
- Preferred name
- 3,3-dimethyl-8-(morpholin-4-yl)-6-(2-oxo-2-phenylethoxy)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
- IUPAC
- 3,3-dimethyl-8-morpholin-4-yl-6-phenacyloxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Names & synonyms
1219568-17-8DTXSID201109778STK934783AKOS0056640843,3-dimethyl-8-(morpholin-4-yl)-6-(2-oxo-2-phenylethoxy)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile3,3-dimethyl-8-morpholino-6-(2-oxo-2-phenylethoxy)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile3,4-Dihydro-3,3-dimethyl-8-(4-morpholinyl)-6-(2-oxo-2-phenylethoxy)-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Database identifiers
- CAS
1219568-17-8- PubChem CID
- 49653151
- DTXSID
DTXSID201109778
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 648
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