3-Chloro-5-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

HCID 66558604
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@]1(c2cc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)N=C(N)OC[C@@H]1F
InChIKey
KYSGVAXATOXFCB-KBXCAEBGSA-N
Molecular formula
C18H14ClF2N5O2
Average molar mass
405.8 g/mol
Monoisotopic mass
405.0804087

Names & identifiers

Preferred name
3-Chloro-5-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
IUPAC
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide

Names & synonyms

CHEMBL3680859SCHEMBL13194253KYSGVAXATOXFCB-KBXCAEBGSA-NBDBM124137US8754075, 73-Chloro-5-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
66558604
ChEMBL
CHEMBL3680859

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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