N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide

HCID 66558601
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC[C@@H]1F
InChIKey
ALKHFUPBQSAGMS-MAUKXSAKSA-N
Molecular formula
C18H15F2N5O2
Average molar mass
371.3 g/mol
Monoisotopic mass
371.11938106

Names & identifiers

Preferred name
N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide
IUPAC
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

Names & synonyms

CHEMBL2347204N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-CarboxamideSCHEMBL13194233ALKHFUPBQSAGMS-MAUKXSAKSA-NBDBM50432608US8754075, 4Q274520681H75-Cyano-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

Database identifiers

PubChem CID
66558601
ChEMBL
CHEMBL2347204

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
27

Related reactions

2 records
New reaction record

Linked notes

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N-{3-[(4r,5r)-2-Amino-5-Fluoro-4-Methyl-5,6-Dihydro-4h-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyanopyridine-2-Carboxamide (HCID 66558601)｜Huagongshe