6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide

C71H74F15IN16O11 — CID 161189908

About 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide

6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide (PubChem CID 161189908) has the molecular formula C71H74F15IN16O11 and a molecular weight of 1739.35 g/mol. Its IUPAC name is 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide.

Molecular Properties

• Compound Name: 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide
• PubChem CID: 161189908
• Molecular Formula: C71H74F15IN16O11
• Molecular Weight: 1739.35 g/mol
• Exact Mass: 1738.45
• IUPAC Name: 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide
• SMILES: C.C.CC(C)(C)OC(=O)NC1=N[C@](C)(c2nc(N)ccc2F)[C@@H](F)[C@@H](C(F)(F)F)O1.Cc1cc(C#N)cnc1C(=O)Cc1ccc(F)c([C@@]2(C)N=C(N)O[C@H](C(F)(F)F)[C@@H]2F)n1.Cc1cc(C#N)cnc1C(=O)Cc1ccc(F)c([C@@]2(C)N=C(NC(=O)OC(C)(C)C)O[C@H](C(F)(F)F)[C@@H]2F)n1.Cc1cc(C#N)cnc1C(=O)O.I
• InChI: InChI=1S/C25H24F5N5O4.C20H16F5N5O2.C16H19F5N4O3.C8H6N2O2.2CH4.HI/c1-12-8-13(10-31)11-32-17(12)16(36)9-14-6-7-15(26)19(33-14)24(5)18(27)20(25(28,29)30)38-21(35-24)34-22(37)39-23(2,3)4;1-9-5-10(7-26)8-28-14(9)13(31)6-11-3-4-12(21)16(29-11)19(2)15(22)17(20(23,24)25)32-18(27)30-19;1-14(2,3)28-13(26)24-12-25-15(4,9(18)11(27-12)16(19,20)21)10-7(17)5-6-8(22)23-10;1-5-2-6(3-9)4-10-7(5)8(11)12;;;/h6-8,11,18,20H,9H2,1-5H3,(H,34,35,37);3-5,8,15,17H,6H2,1-2H3,(H2,27,30);5-6,9,11H,1-4H3,(H2,22,23)(H,24,25,26);2,4H,1H3,(H,11,12);2*1H4;1H/t18-,20-,24-;15-,17-,19-;9-,11-,15-;;;;/m000..../s1
• InChIKey: OXYLEFSOYKEMOT-IBLJSWBWSA-N
• XLogP: 13.71
• TPSA: 413.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.35
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide?

The IUPAC name of 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide (CID 161189908) is 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide.

What is the SMILES notation for 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide?

The canonical SMILES for 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide is C.C.CC(C)(C)OC(=O)NC1=N[C@](C)(c2nc(N)ccc2F)[C@@H](F)[C@@H](C(F)(F)F)O1.Cc1cc(C#N)cnc1C(=O)Cc1ccc(F)c([C@@]2(C)N=C(N)O[C@H](C(F)(F)F)[C@@H]2F)n1.Cc1cc(C#N)cnc1C(=O)Cc1ccc(F)c([C@@]2(C)N=C(NC(=O)OC(C)(C)C)O[C@H](C(F)(F)F)[C@@H]2F)n1.Cc1cc(C#N)cnc1C(=O)O.I.

What is the InChIKey of 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide?

The InChIKey is OXYLEFSOYKEMOT-IBLJSWBWSA-N. The full InChI is InChI=1S/C25H24F5N5O4.C20H16F5N5O2.C16H19F5N4O3.C8H6N2O2.2CH4.HI/c1-12-8-13(10-31)11-32-17(12)16(36)9-14-6-7-15(26)19(33-14)24(5)18(27)20(25(28,29)30)38-21(35-24)34-22(37)39-23(2,3)4;1-9-5-10(7-26)8-28-14(9)13(31)6-11-3-4-12(21)16(29-11)19(2)15(22)17(20(23,24)25)32-18(27)30-19;1-14(2,3)28-13(26)24-12-25-15(4,9(18)11(27-12)16(19,20)21)10-7(17)5-6-8(22)23-10;1-5-2-6(3-9)4-10-7(5)8(11)12;;;/h6-8,11,18,20H,9H2,1-5H3,(H,34,35,37);3-5,8,15,17H,6H2,1-2H3,(H2,27,30);5-6,9,11H,1-4H3,(H2,22,23)(H,24,25,26);2,4H,1H3,(H,11,12);2*1H4;1H/t18-,20-,24-;15-,17-,19-;9-,11-,15-;;;;/m000..../s1.

What are the key properties of 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide?

6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide has a molecular weight of 1739.35 g/mol, XLogP of 13.71, 10 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]-5-methylpyridine-3-carbonitrile;tert-butyl N-[(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;tert-butyl N-[(4R,5R,6S)-4-[6-[2-(5-cyano-3-methyl-2-pyridinyl)-2-oxoethyl]-3-fluoro-2-pyridinyl]-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate;5-cyano-3-methylpyridine-2-carboxylic acid;methane;hydroiodide is sourced from PubChem (CID 161189908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).