N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide

C20H19F5N4O3 — CID 163585235

IUPACN-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)N=C(N)O[C@H](F)[C@@H]3C)c2)ccc1OCF
InChIInChI=1S/C20H19F5N4O3/c1-9-16(23)32-19(26)29-20(9,18(24)25)12-7-11(3-4-13(12)22)28-17(30)14-5-6-15(31-8-21)10(2)27-14/h3-7,9,16,18H,8H2,1-2H3,(H2,26,29)(H,28,30)/t9-,16-,20-/m0/s1
InChIKeyGKXYFTLNKVSJFY-JLODTFLUSA-N
MW458.39 g/mol
LogP3.82
Rot. Bonds6

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

N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide (PubChem CID 163585235) has the molecular formula C20H19F5N4O3 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide
PubChem CID163585235
Molecular FormulaC20H19F5N4O3
Molecular Weight458.39 g/mol
Exact Mass458.14
IUPAC NameN-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)N=C(N)O[C@H](F)[C@@H]3C)c2)ccc1OCF
InChIInChI=1S/C20H19F5N4O3/c1-9-16(23)32-19(26)29-20(9,18(24)25)12-7-11(3-4-13(12)22)28-17(30)14-5-6-15(31-8-21)10(2)27-14/h3-7,9,16,18H,8H2,1-2H3,(H2,26,29)(H,28,30)/t9-,16-,20-/m0/s1
InChIKeyGKXYFTLNKVSJFY-JLODTFLUSA-N
XLogP3.82
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4R,5S)-2-amino-4-(difluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-6-chloro-3-methylpyrazine-2-carboxamide
CID 118242055
N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-2-(1-fluoroethyl)-1,3-oxazole-4-carboxamide
CID 90412782
N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 118399717
N-[3-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123540419
N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-chloro-3-propan-2-ylpyridine-2-carboxamide
CID 90414815
N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-but-3-yn-2-yloxypyrazine-2-carboxamide
CID 90412962
N-[3-[(4R,5R,6S)-2-amino-6-(fluoromethyl)-5-methoxy-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 126693399
N-[3-[(4R,5S)-2-amino-4-(fluoromethyl)-5,6-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-4-chlorophenyl]-5-chloropyridine-2-carboxamide
CID 118242033
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733
2-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-[5-(fluoromethoxy)-2-pyridinyl]ethanone
CID 148972881
N-[3-[(4S,5R,6S)-2-amino-4,5-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118440818
N-[3-[(4R,6S)-2-amino-4-ethynyl-6-[(1S)-1-fluoroethyl]-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 144942835

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide (CID 163585235) is N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)N=C(N)O[C@H](F)[C@@H]3C)c2)ccc1OCF.
What is the InChIKey of N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide?
The InChIKey is GKXYFTLNKVSJFY-JLODTFLUSA-N. The full InChI is InChI=1S/C20H19F5N4O3/c1-9-16(23)32-19(26)29-20(9,18(24)25)12-7-11(3-4-13(12)22)28-17(30)14-5-6-15(31-8-21)10(2)27-14/h3-7,9,16,18H,8H2,1-2H3,(H2,26,29)(H,28,30)/t9-,16-,20-/m0/s1.
What are the key properties of N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide?
N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide has a molecular weight of 458.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S,5R,6R)-2-amino-4-(difluoromethyl)-6-fluoro-5-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 163585235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).