[(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid

C18H14F6N6O4 — CID 118877170

About [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid

[(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid (PubChem CID 118877170) has the molecular formula C18H14F6N6O4 and a molecular weight of 492.34 g/mol. Its IUPAC name is [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid
• PubChem CID: 118877170
• Molecular Formula: C18H14F6N6O4
• Molecular Weight: 492.34 g/mol
• Exact Mass: 492.10
• IUPAC Name: [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid
• SMILES: C[C@@]1(c2nc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(NC(=O)O)=N1
• InChI: InChI=1S/C18H14F6N6O4/c1-17(4-10(18(22,23)24)34-15(30-17)29-16(32)33)12-7(19)2-3-11(27-12)28-14(31)9-6-25-8(5-26-9)13(20)21/h2-3,5-6,10,13H,4H2,1H3,(H,29,30)(H,32,33)(H,27,28,31)/t10-,17-/m0/s1
• InChIKey: FLCNWARCKGYXGU-BTDLBPIBSA-N
• XLogP: 3.39
• TPSA: 138.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.34
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid?

The IUPAC name of [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid (CID 118877170) is [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid.

What is the SMILES notation for [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid?

The canonical SMILES for [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid is C[C@@]1(c2nc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(NC(=O)O)=N1.

What is the InChIKey of [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid?

The InChIKey is FLCNWARCKGYXGU-BTDLBPIBSA-N. The full InChI is InChI=1S/C18H14F6N6O4/c1-17(4-10(18(22,23)24)34-15(30-17)29-16(32)33)12-7(19)2-3-11(27-12)28-14(31)9-6-25-8(5-26-9)13(20)21/h2-3,5-6,10,13H,4H2,1H3,(H,29,30)(H,32,33)(H,27,28,31)/t10-,17-/m0/s1.

What are the key properties of [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid?

[(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid has a molecular weight of 492.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid is sourced from PubChem (CID 118877170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).