2-Amino-7-methyl-6-[2-(4-morpholinyl)ethyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-C]pyridine-3-carbonitrile
Basic information
- CAS
443677-63-2- Standard SMILES
COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc(OC)c1OC- InChIKey
KBHPWCWJYOWBDW-UHFFFAOYSA-N- Molecular formula
- C25H30N4O6
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.21653469
Names & identifiers
- Preferred name
- 2-Amino-7-methyl-6-[2-(4-morpholinyl)ethyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-C]pyridine-3-carbonitrile
- IUPAC
- 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Names & synonyms
SMR000037135MLS000077746MLS001073962CHEMBL1371347HMS2163N11HMS3319F04STK028932AKOS002170177AKOS016060637AB00384773-072-amino-7-methyl-6-(2-morpholinoethyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile2-AMINO-7-METHYL-6-[2-(4-MORPHOLINYL)ETHYL]-5-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-5,6-DIHYDRO-4H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE
Show more names
2-amino-7-methyl-6-[2-(morpholin-4-yl)ethyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Database identifiers
- CAS
443677-63-2- PubChem CID
- 662014
- ChEMBL
CHEMBL1371347- EC Number
- 124-696-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 946
Related reactions
0 records
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Compound notes
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