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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane

C39H37F10N11O5 — CID 158807117

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane (PubChem CID 158807117) has the molecular formula C39H37F10N11O5 and a molecular weight of 929.78 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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane.

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane
• PubChem CID: 158807117
• Molecular Formula: C39H37F10N11O5
• Molecular Weight: 929.78 g/mol
• Exact Mass: 929.28
• 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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane
• SMILES: C.C.C[C@]1(c2nc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.C[C@]1(c2nc(N)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.N#Cc1ccc(C(=O)O)nc1
• InChI: InChI=1S/C19H14F5N5O2.C11H11F5N4O.C7H4N2O2.2CH4/c1-18(14(21)16(19(22,23)24)31-17(26)29-18)15-11(20)4-3-10(28-15)6-13(30)12-5-2-9(7-25)8-27-12;1-10(7-4(12)2-3-5(17)19-7)6(13)8(11(14,15)16)21-9(18)20-10;8-3-5-1-2-6(7(10)11)9-4-5;;/h2-5,8,14,16H,6H2,1H3,(H2,26,29);2-3,6,8H,1H3,(H2,17,19)(H2,18,20);1-2,4H,(H,10,11);2*1H4/t14-,16-,18-;6-,8-,10-;;;/m00.../s1
• InChIKey: IUFCQAJPHAIERD-BDIIGNFUSA-N
• XLogP: 6.30
• TPSA: 274.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.78
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane?

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane (CID 158807117) 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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane.

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane?

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane is C.C.C[C@]1(c2nc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.C[C@]1(c2nc(N)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.N#Cc1ccc(C(=O)O)nc1.

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane?

The InChIKey is IUFCQAJPHAIERD-BDIIGNFUSA-N. The full InChI is InChI=1S/C19H14F5N5O2.C11H11F5N4O.C7H4N2O2.2CH4/c1-18(14(21)16(19(22,23)24)31-17(26)29-18)15-11(20)4-3-10(28-15)6-13(30)12-5-2-9(7-25)8-27-12;1-10(7-4(12)2-3-5(17)19-7)6(13)8(11(14,15)16)21-9(18)20-10;8-3-5-1-2-6(7(10)11)9-4-5;;/h2-5,8,14,16H,6H2,1H3,(H2,26,29);2-3,6,8H,1H3,(H2,17,19)(H2,18,20);1-2,4H,(H,10,11);2*1H4/t14-,16-,18-;6-,8-,10-;;;/m00.../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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane?

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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane has a molecular weight of 929.78 g/mol, XLogP of 6.30, 6 rotatable bonds, 4 hydrogen bond donors, and 15 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]pyridine-3-carbonitrile;(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyanopyridine-2-carboxylic acid;methane is sourced from PubChem (CID 158807117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).