N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide

C17H14F6N6O2 — CID 118877195

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

N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide (PubChem CID 118877195) has the molecular formula C17H14F6N6O2 and a molecular weight of 448.33 g/mol. Its IUPAC name is N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
• PubChem CID: 118877195
• Molecular Formula: C17H14F6N6O2
• Molecular Weight: 448.33 g/mol
• Exact Mass: 448.11
• IUPAC Name: N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
• SMILES: C[C@]1(c2nc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1
• InChI: InChI=1S/C17H14F6N6O2/c1-16(4-10(17(21,22)23)31-15(24)29-16)12-7(18)2-3-11(27-12)28-14(30)9-6-25-8(5-26-9)13(19)20/h2-3,5-6,10,13H,4H2,1H3,(H2,24,29)(H,27,28,30)/t10-,16+/m0/s1
• InChIKey: PMOJTUOCFHKQNG-MGPLVRAMSA-N
• XLogP: 3.08
• TPSA: 115.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.33
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide (CID 118877195) is N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide.

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

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

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

The InChIKey is PMOJTUOCFHKQNG-MGPLVRAMSA-N. The full InChI is InChI=1S/C17H14F6N6O2/c1-16(4-10(17(21,22)23)31-15(24)29-16)12-7(18)2-3-11(27-12)28-14(30)9-6-25-8(5-26-9)13(19)20/h2-3,5-6,10,13H,4H2,1H3,(H2,24,29)(H,27,28,30)/t10-,16+/m0/s1.

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

N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide has a molecular weight of 448.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118877195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).