2-Amino-6-(3-methoxy-propyl)-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
Basic information
- Standard SMILES
COCCCc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1- InChIKey
JESUNSHYEYKDHL-UHFFFAOYSA-N- Molecular formula
- C21H23N3O3S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.14601278
Names & identifiers
- Preferred name
- 2-Amino-6-(3-methoxy-propyl)-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
- IUPAC
- 2-amino-6-(3-methoxypropyl)-N-[(5-phenoxythiophen-2-yl)methyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL1680563JESUNSHYEYKDHL-UHFFFAOYSA-N2-Amino-6-(3-methoxy-propyl)-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
Database identifiers
- PubChem CID
- 23130366
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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