2-amino-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Basic information
- CAS
496772-72-6- Standard SMILES
CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1OCC- InChIKey
UZDNPYIDLZZAFY-UHFFFAOYSA-N- Molecular formula
- C26H26N4O4
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.19540532
Names & identifiers
- Preferred name
- 2-amino-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
- IUPAC
- 2-amino-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Names & synonyms
2-amino-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrileSTK059918AKOS005388014NCGC00310398-01AB01306281-012-amino-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-6-(3-pyridinylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Database identifiers
- CAS
496772-72-6- PubChem CID
- 3753489
- EC Number
- 124-703-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…