N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C20H17F8N5O5 — CID 86296222

About N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 86296222) has the molecular formula C20H17F8N5O5 and a molecular weight of 559.37 g/mol. Its IUPAC name is N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 86296222
• Molecular Formula: C20H17F8N5O5
• Molecular Weight: 559.37 g/mol
• Exact Mass: 559.11
• IUPAC Name: N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: C[C@@]1(c2nc(NC(=O)c3ccc(OCF)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H16F5N5O3.C2HF3O2/c1-17(6-12(18(21,22)23)31-16(24)28-17)14-10(20)3-5-13(26-14)27-15(29)11-4-2-9(7-25-11)30-8-19;3-2(4,5)1(6)7/h2-5,7,12H,6,8H2,1H3,(H2,24,28)(H,26,27,29);(H,6,7)/t12-,17-;/m0./s1
• InChIKey: BRIJEFXAWLOURW-XHXSRVRCSA-N
• XLogP: 3.69
• TPSA: 149.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.37
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 86296222) is N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is C[C@@]1(c2nc(NC(=O)c3ccc(OCF)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is BRIJEFXAWLOURW-XHXSRVRCSA-N. The full InChI is InChI=1S/C18H16F5N5O3.C2HF3O2/c1-17(6-12(18(21,22)23)31-16(24)28-17)14-10(20)3-5-13(26-14)27-15(29)11-4-2-9(7-25-11)30-8-19;3-2(4,5)1(6)7/h2-5,7,12H,6,8H2,1H3,(H2,24,28)(H,26,27,29);(H,6,7)/t12-,17-;/m0./s1.

What are the key properties of N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 559.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86296222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).