N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide

C121H116Cl5F16N39O21S7 — CID 159604286

IUPACN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide
SMILESC=S1(=O)C[C@@](C)(c2c(F)ccc(NC(=O)c3ccc(C)cn3)c2F)N=C(N)N1C.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C#N)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ncc(Cl)cc3Cl)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3cnc(Cl)cc3Cl)ccc2F)CS1(=O)=O.COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1
InChIInChI=1S/C19H21F2N5O2S.C18H16F5N5O3S.C18H16F2N6O3S.C17H15Cl2F2N5O3S.C17H17F3N6O4S.C16H15Cl2FN6O3S.C16H16ClFN6O3S/c1-11-5-7-14(23-9-11)17(27)24-13-8-6-12(20)15(16(13)21)19(2)10-29(4,28)26(3)18(22)25-19;1-17(8-32(30,31)28(2)16(24)27-17)13-10(19)4-6-11(14(13)20)26-15(29)12-5-3-9(7-25-12)18(21,22)23;1-18(9-30(28,29)26(2)17(22)25-18)14-11(19)4-6-12(15(14)20)24-16(27)13-5-3-10(7-21)8-23-13;1-17(7-30(28,29)26(2)16(22)25-17)12-10(20)3-4-11(13(12)21)24-15(27)14-9(19)5-8(18)6-23-14;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-16(7-29(27,28)25(2)15(20)24-16)13-10(19)3-4-12(22-13)23-14(26)8-6-21-11(18)5-9(8)17;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11/h5-9H,4,10H2,1-3H3,(H2,22,25)(H,24,27);3-7H,8H2,1-2H3,(H2,24,27)(H,26,29);3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,27);3-6H,7H2,1-2H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)/t19-,29?;17-;18-;2*17-;2*16-/m0000000/s1
InChIKeyMLWKXVYVSPOPBS-NKYFTFHMSA-N
MW3158.21 g/mol
LogP12.74
Rot. Bonds22

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide (PubChem CID 159604286) has the molecular formula C121H116Cl5F16N39O21S7 and a molecular weight of 3158.21 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide
PubChem CID159604286
Molecular FormulaC121H116Cl5F16N39O21S7
Molecular Weight3158.21 g/mol
Exact Mass3153.54
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide
SMILESC=S1(=O)C[C@@](C)(c2c(F)ccc(NC(=O)c3ccc(C)cn3)c2F)N=C(N)N1C.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C#N)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ncc(Cl)cc3Cl)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3cnc(Cl)cc3Cl)ccc2F)CS1(=O)=O.COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1
InChIInChI=1S/C19H21F2N5O2S.C18H16F5N5O3S.C18H16F2N6O3S.C17H15Cl2F2N5O3S.C17H17F3N6O4S.C16H15Cl2FN6O3S.C16H16ClFN6O3S/c1-11-5-7-14(23-9-11)17(27)24-13-8-6-12(20)15(16(13)21)19(2)10-29(4,28)26(3)18(22)25-19;1-17(8-32(30,31)28(2)16(24)27-17)13-10(19)4-6-11(14(13)20)26-15(29)12-5-3-9(7-25-12)18(21,22)23;1-18(9-30(28,29)26(2)17(22)25-18)14-11(19)4-6-12(15(14)20)24-16(27)13-5-3-10(7-21)8-23-13;1-17(7-30(28,29)26(2)16(22)25-17)12-10(20)3-4-11(13(12)21)24-15(27)14-9(19)5-8(18)6-23-14;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-16(7-29(27,28)25(2)15(20)24-16)13-10(19)3-4-12(22-13)23-14(26)8-6-21-11(18)5-9(8)17;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11/h5-9H,4,10H2,1-3H3,(H2,22,25)(H,24,27);3-7H,8H2,1-2H3,(H2,24,27)(H,26,29);3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,27);3-6H,7H2,1-2H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)/t19-,29?;17-;18-;2*17-;2*16-/m0000000/s1
InChIKeyMLWKXVYVSPOPBS-NKYFTFHMSA-N
XLogP12.74
TPSA878.87 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds22
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003158.21
LogP ≤ 512.74
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide (CID 159604286) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide is C=S1(=O)C[C@@](C)(c2c(F)ccc(NC(=O)c3ccc(C)cn3)c2F)N=C(N)N1C.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C#N)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ncc(Cl)cc3Cl)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3cnc(Cl)cc3Cl)ccc2F)CS1(=O)=O.COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.
What is the InChIKey of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide?
The InChIKey is MLWKXVYVSPOPBS-NKYFTFHMSA-N. The full InChI is InChI=1S/C19H21F2N5O2S.C18H16F5N5O3S.C18H16F2N6O3S.C17H15Cl2F2N5O3S.C17H17F3N6O4S.C16H15Cl2FN6O3S.C16H16ClFN6O3S/c1-11-5-7-14(23-9-11)17(27)24-13-8-6-12(20)15(16(13)21)19(2)10-29(4,28)26(3)18(22)25-19;1-17(8-32(30,31)28(2)16(24)27-17)13-10(19)4-6-11(14(13)20)26-15(29)12-5-3-9(7-25-12)18(21,22)23;1-18(9-30(28,29)26(2)17(22)25-18)14-11(19)4-6-12(15(14)20)24-16(27)13-5-3-10(7-21)8-23-13;1-17(7-30(28,29)26(2)16(22)25-17)12-10(20)3-4-11(13(12)21)24-15(27)14-9(19)5-8(18)6-23-14;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-16(7-29(27,28)25(2)15(20)24-16)13-10(19)3-4-12(22-13)23-14(26)8-6-21-11(18)5-9(8)17;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11/h5-9H,4,10H2,1-3H3,(H2,22,25)(H,24,27);3-7H,8H2,1-2H3,(H2,24,27)(H,26,29);3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,27);3-6H,7H2,1-2H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)/t19-,29?;17-;18-;2*17-;2*16-/m0000000/s1.
What are the key properties of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide?
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide has a molecular weight of 3158.21 g/mol, XLogP of 12.74, 22 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-4,6-dichloropyridine-3-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 159604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).