N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C20H19F5N4O3 — CID 66559099

IUPACN-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESC[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F
InChIInChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
InChIKeyWAGVRKPPJOWFFS-RBUKOAKNSA-N
MW458.39 g/mol
LogP3.70
Rot. Bonds5

About N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 66559099) has the molecular formula C20H19F5N4O3 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID66559099
Molecular FormulaC20H19F5N4O3
Molecular Weight458.39 g/mol
Exact Mass458.14
IUPAC NameN-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESC[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F
InChIInChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
InChIKeyWAGVRKPPJOWFFS-RBUKOAKNSA-N
XLogP3.70
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 66559099) is N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F.
What is the InChIKey of N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is WAGVRKPPJOWFFS-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1.
What are the key properties of N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 458.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 66559099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).