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Basic information
- CAS
676501-30-7- Standard SMILES
COc1cc(CNCCC2CCOCC2)ccc1Oc1ccc(C(N)=O)nc1- InChIKey
NVKALKZRHVRCHO-UHFFFAOYSA-N- Molecular formula
- C21H27N3O4
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.20015634
Names & identifiers
- Preferred name
- 5-(2-Methoxy-4-{[2-(tetrahydropyran-4-yl)ethylamino]methyl}phenoxy)pyridine-2-carboxamide
- IUPAC
- 5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
Names & synonyms
SCHEMBL3888284NVKALKZRHVRCHO-UHFFFAOYSA-NDTXSID3011175885-(2-methoxy-4-{[2-(tetrahydropyran-4-yl)ethylamino]methyl}phenoxy)pyridine-2-carboxamide676501-30-75-[2-Methoxy-4-({[2-(oxan-4-yl)ethyl]amino}methyl)phenoxy]pyridine-2-carboxamide5-[2-Methoxy-4-[[[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino]methyl]phenoxy]-2-pyridinecarboxamide
Database identifiers
- CAS
676501-30-7- PubChem CID
- 59730367
- DTXSID
DTXSID301117588
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 473
Related reactions
2 records
Compound notes
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