Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)cc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN1CCOCC1.Cl.Cl- InChIKey
DGSRZDRRFYLXMA-UHFFFAOYSA-N- Molecular formula
- C25H28Cl2N4O4
- Average molar mass
- 519.4 g/mol
- Monoisotopic mass
- 518.1487608
Names & identifiers
- Preferred name
- 3-(2-Morpholinoethylcarbamoyl)-methyl-4-(3-nitrophenyl)-6-phenylpyridine dihydrochloride
- IUPAC
- 2-methyl-N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxamide;dihydrochloride
Names & synonyms
SCHEMBL9603062DGSRZDRRFYLXMA-UHFFFAOYSA-N3-(2-morpholinoethylcarbamoyl)-2-methyl-4-(3-nitrophenyl)-6-phenylpyridine dihydrochloride3-(2-morpholinoethylcarbamoyl)-methyl-4-(3-nitrophenyl)-6-phenylpyridine dihydrochloride
Database identifiers
- PubChem CID
- 20071495
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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