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

C19H16F6N4O3 — CID 90373210

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

N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide (PubChem CID 90373210) has the molecular formula C19H16F6N4O3 and a molecular weight of 462.35 g/mol. Its IUPAC name is N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
• PubChem CID: 90373210
• Molecular Formula: C19H16F6N4O3
• Molecular Weight: 462.35 g/mol
• Exact Mass: 462.11
• IUPAC Name: N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
• SMILES: COc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c(F)c1
• InChI: InChI=1S/C19H16F6N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-3-8(4-11(20)14(10)22)28-16(30)15-12(21)5-9(31-2)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18+/m0/s1
• InChIKey: HQSLQGZKDXFBJY-SCLBCKFNSA-N
• XLogP: 3.64
• TPSA: 98.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.35
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide (CID 90373210) is N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide.

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

The canonical SMILES for N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c(F)c1.

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

The InChIKey is HQSLQGZKDXFBJY-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H16F6N4O3/c1-18(6-13(19(23,24)25)32-17(26)29-18)10-3-8(4-11(20)14(10)22)28-16(30)15-12(21)5-9(31-2)7-27-15/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18+/m0/s1.

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

N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide has a molecular weight of 462.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 90373210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).