Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccc(OC)cc2)nc(-c2ccc(OCc3ccccc3)cc2)c1N- InChIKey
LNHPFDAXRPNGBB-UHFFFAOYSA-N- Molecular formula
- C27H24N2O4
- Average molar mass
- 440.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-2-(4-(benzyloxy)phenyl)-6-(4-methoxyphenyl)isonicotinate
- IUPAC
- methyl 3-amino-6-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL110393LNHPFDAXRPNGBB-UHFFFAOYSA-Nmethyl 3-amino-2-(4-(benzyloxy)phenyl)-6-(4-methoxyphenyl)-isonicotinateMethyl 3-amino-2-(4-(benzyloxy)phenyl)-6-(4-methoxyphenyl)isonicotinate
Database identifiers
- PubChem CID
- 66599449
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 595
Related reactions
2 records
Compound notes
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