5-Difluoromethoxy-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide (HCID 66558603)

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Basic information

Standard SMILES: C[C@]1(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F
InChIKey: YEOGNKUPUNPNJY-KBXCAEBGSA-N
Molecular formula: C18H16F4N4O3
Average molar mass: 412.3 g/mol

Names & identifiers

Preferred name: 5-Difluoromethoxy-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
IUPAC: N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(difluoromethoxy)pyridine-2-carboxamide

Names & synonyms

5-Difluoromethoxy-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amideCHEMBL3680858SCHEMBL13194250BDBM124136US8754075, 6

Database identifiers

PubChem CID: 66558603
ChEMBL: CHEMBL3680858

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 98.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 626

Related reactions

2 records

New reaction record

HRID 405717As productuspto-grants-2014_06

HRID 517033As productuspto-grants-2015_08

Compound notes

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