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

C19H19ClF3N5O2 — CID 118242055

IUPACN-[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
SMILESCc1ncc(Cl)nc1C(=O)Nc1ccc(F)c([C@]2(C(F)F)N=C(N)OC(C)[C@H]2C)c1
InChIInChI=1S/C19H19ClF3N5O2/c1-8-10(3)30-18(24)28-19(8,17(22)23)12-6-11(4-5-13(12)21)26-16(29)15-9(2)25-7-14(20)27-15/h4-8,10,17H,1-3H3,(H2,24,28)(H,26,29)/t8-,10?,19-/m1/s1
InChIKeyXDOUXRQIZGXYNQ-DTSCVETJSA-N
MW441.84 g/mol
LogP3.66
Rot. Bonds4

About 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

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 (PubChem CID 118242055) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID118242055
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC NameN-[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
SMILESCc1ncc(Cl)nc1C(=O)Nc1ccc(F)c([C@]2(C(F)F)N=C(N)OC(C)[C@H]2C)c1
InChIInChI=1S/C19H19ClF3N5O2/c1-8-10(3)30-18(24)28-19(8,17(22)23)12-6-11(4-5-13(12)21)26-16(29)15-9(2)25-7-14(20)27-15/h4-8,10,17H,1-3H3,(H2,24,28)(H,26,29)/t8-,10?,19-/m1/s1
InChIKeyXDOUXRQIZGXYNQ-DTSCVETJSA-N
XLogP3.66
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-[(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-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-7-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 90401292
N-[3-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 123334123
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-[(7aS)-2-amino-4-(difluoromethyl)-6,6-difluoro-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 123656332
N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]-3,5-dichloropyridine-2-carboxamide
CID 90413435
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
N-[3-[(1R,5S)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 126755466
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-but-3-yn-2-yloxypyrazine-2-carboxamide
CID 90412962

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(Cl)nc1C(=O)Nc1ccc(F)c([C@]2(C(F)F)N=C(N)OC(C)[C@H]2C)c1.
What is the InChIKey of 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?
The InChIKey is XDOUXRQIZGXYNQ-DTSCVETJSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-8-10(3)30-18(24)28-19(8,17(22)23)12-6-11(4-5-13(12)21)26-16(29)15-9(2)25-7-14(20)27-15/h4-8,10,17H,1-3H3,(H2,24,28)(H,26,29)/t8-,10?,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 441.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118242055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).