6-(4-{2-[(3,5-Dimethyl-isoxazol-4-ylmethyl)-amino]-ethyl}-phenoxy)-nicotinamide

HCID 59730004
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Basic information

Standard SMILES
Cc1noc(C)c1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIKey
PFDNKAPNCMTSLD-UHFFFAOYSA-N
Molecular formula
C20H22N4O3
Average molar mass
366.4 g/mol

Names & identifiers

Preferred name
6-(4-{2-[(3,5-Dimethyl-isoxazol-4-ylmethyl)-amino]-ethyl}-phenoxy)-nicotinamide
IUPAC
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

Names & synonyms

SCHEMBL3689665PFDNKAPNCMTSLD-UHFFFAOYSA-N6-(4-{2-[(3,5-dimethyl-isoxazol-4-ylmethyl)-amino]-ethyl}-phenoxy)-nicotinamide

Database identifiers

PubChem CID
59730004

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
27

Related reactions

4 records
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Compound notes

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