N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide

C20H17F7N4O2 — CID 78323012

About N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide

N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide (PubChem CID 78323012) has the molecular formula C20H17F7N4O2 and a molecular weight of 478.37 g/mol. Its IUPAC name is N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide
• PubChem CID: 78323012
• Molecular Formula: C20H17F7N4O2
• Molecular Weight: 478.37 g/mol
• Exact Mass: 478.12
• IUPAC Name: N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide
• SMILES: Cc1cc(C(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@]2(C)C[C@@H](C(F)(F)F)OC(N)=N2)c1
• InChI: InChI=1S/C20H17F7N4O2/c1-8-3-9(16(23)24)7-29-15(8)17(32)30-10-4-11(14(22)12(21)5-10)19(2)6-13(20(25,26)27)33-18(28)31-19/h3-5,7,13,16H,6H2,1-2H3,(H2,28,31)(H,30,32)/t13-,19-/m0/s1
• InChIKey: RZNASLIUEOWJBI-DJJJIMSYSA-N
• XLogP: 4.74
• TPSA: 89.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.37
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide (CID 78323012) is N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide.

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

The canonical SMILES for N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide is Cc1cc(C(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@]2(C)C[C@@H](C(F)(F)F)OC(N)=N2)c1.

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

The InChIKey is RZNASLIUEOWJBI-DJJJIMSYSA-N. The full InChI is InChI=1S/C20H17F7N4O2/c1-8-3-9(16(23)24)7-29-15(8)17(32)30-10-4-11(14(22)12(21)5-10)19(2)6-13(20(25,26)27)33-18(28)31-19/h3-5,7,13,16H,6H2,1-2H3,(H2,28,31)(H,30,32)/t13-,19-/m0/s1.

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

N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide has a molecular weight of 478.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 78323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).