Basic information
- CAS
5659-57-4- Standard SMILES
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1cccnc1- InChIKey
JWNHXQYPEZMRSY-UHFFFAOYSA-N- Molecular formula
- C22H27N3O4
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.20015635
Names & identifiers
- Preferred name
- 1-[3-(diethylamino)propyl]-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
Names & synonyms
5659-57-41-[3-(diethylamino)propyl]-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-oneCambridge id 7104468DTXSID70972028HMS1588J08AKOS001455593AKOS0162967471-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-oneST50068592Z3161695101-(3-(diethylamino)propyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one1-[3-(diethylamino)propyl]-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
Show more names
1-[3-(Diethylamino)propyl]-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one1-[3-(diethylamino)propyl]-3-hydroxy-4-[(5-methyl(2-furyl))carbonyl]-5-(3-pyri dyl)-3-pyrrolin-2-one
Database identifiers
- CAS
5659-57-4- PubChem CID
- 2926322
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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