2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide

C188H166Cl12F22N47O14+5 — CID 158864647

IUPAC2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1cccc(Cl)c1.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ccccc1F.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1-n1cncn1.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1Cl.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1F.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1cccc(Cl)c1.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ccccc1F.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ncccc1-n1cncn1.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ncccc1F
InChIInChI=1S/C22H19ClF2N8O2.C22H19ClF2N8O.C21H18Cl2F2N4O2.C21H18Cl2F2N4O.C21H18ClF3N4O2.C21H18ClF3N4O.C20H17Cl2F2N5O2.C20H17ClF3N5O2.C20H17ClF3N5O/c23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)33(35)18(15)10-21(34)29-11-16-17(4-3-9-27-16)32-14-26-13-31-32;23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)32-16(15)10-21(34)29-11-17-18(4-3-9-27-17)33-14-26-13-31-33;22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29(17)31)28-13-21(24,25)18-6-1-2-9-26-18;22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29-17)28-13-21(24,25)18-6-1-2-9-26-18;22-15-8-9-19(28-13-21(24,25)18-7-3-4-10-26-18)29(31)17(15)11-20(30)27-12-14-5-1-2-6-16(14)23;22-15-8-9-19(28-13-21(24,25)18-7-3-4-10-26-18)29-17(15)11-20(30)27-12-14-5-1-2-6-16(14)23;21-13-4-3-9-25-15(13)11-27-19(30)10-16-14(22)6-7-18(29(16)31)28-12-20(23,24)17-5-1-2-8-26-17;21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29(31)16(13)10-19(30)27-11-15-14(22)4-3-9-25-15;21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29-15(13)10-19(30)27-11-16-14(22)4-3-9-25-16/h1-9,13-14,35H,10-12H2,(H,29,34);1-9,13-14H,10-12H2,(H,29,34)(H,30,32);1-10,31H,11-13H2,(H,27,30);1-10H,11-13H2,(H,27,30)(H,28,29);1-10,31H,11-13H2,(H,27,30);1-10H,11-13H2,(H,27,30)(H,28,29);2*1-9,31H,10-12H2,(H,27,30);1-9H,10-12H2,(H,27,30)(H,28,29)/p+5
InChIKeyARYJIUCJVCBRIJ-UHFFFAOYSA-S
MW4151.10 g/mol
LogP32.04
Rot. Bonds74

About 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide

2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide (PubChem CID 158864647) has the molecular formula C188H166Cl12F22N47O14+5 and a molecular weight of 4151.10 g/mol. Its IUPAC name is 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide
PubChem CID158864647
Molecular FormulaC188H166Cl12F22N47O14+5
Molecular Weight4151.10 g/mol
Exact Mass4142.96
IUPAC Name2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide
SMILESO=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1cccc(Cl)c1.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ccccc1F.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1-n1cncn1.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1Cl.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1F.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1cccc(Cl)c1.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ccccc1F.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ncccc1-n1cncn1.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ncccc1F
InChIInChI=1S/C22H19ClF2N8O2.C22H19ClF2N8O.C21H18Cl2F2N4O2.C21H18Cl2F2N4O.C21H18ClF3N4O2.C21H18ClF3N4O.C20H17Cl2F2N5O2.C20H17ClF3N5O2.C20H17ClF3N5O/c23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)33(35)18(15)10-21(34)29-11-16-17(4-3-9-27-16)32-14-26-13-31-32;23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)32-16(15)10-21(34)29-11-17-18(4-3-9-27-17)33-14-26-13-31-33;22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29(17)31)28-13-21(24,25)18-6-1-2-9-26-18;22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29-17)28-13-21(24,25)18-6-1-2-9-26-18;22-15-8-9-19(28-13-21(24,25)18-7-3-4-10-26-18)29(31)17(15)11-20(30)27-12-14-5-1-2-6-16(14)23;22-15-8-9-19(28-13-21(24,25)18-7-3-4-10-26-18)29-17(15)11-20(30)27-12-14-5-1-2-6-16(14)23;21-13-4-3-9-25-15(13)11-27-19(30)10-16-14(22)6-7-18(29(16)31)28-12-20(23,24)17-5-1-2-8-26-17;21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29(31)16(13)10-19(30)27-11-15-14(22)4-3-9-25-15;21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29-15(13)10-19(30)27-11-16-14(22)4-3-9-25-16/h1-9,13-14,35H,10-12H2,(H,29,34);1-9,13-14H,10-12H2,(H,29,34)(H,30,32);1-10,31H,11-13H2,(H,27,30);1-10H,11-13H2,(H,27,30)(H,28,29);1-10,31H,11-13H2,(H,27,30);1-10H,11-13H2,(H,27,30)(H,28,29);2*1-9,31H,10-12H2,(H,27,30);1-9H,10-12H2,(H,27,30)(H,28,29)/p+5
InChIKeyARYJIUCJVCBRIJ-UHFFFAOYSA-S
XLogP32.04
TPSA784.16 Ų
H-Bond Donors23
H-Bond Acceptors47
Rotatable Bonds74
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004151.10
LogP ≤ 532.04
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide (CID 158864647) is 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide is O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1cccc(Cl)c1.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ccccc1F.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1-n1cncn1.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1Cl.O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1ncccc1F.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1cccc(Cl)c1.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ccccc1F.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ncccc1-n1cncn1.O=C(Cc1nc(NCC(F)(F)c2ccccn2)ccc1Cl)NCc1ncccc1F.
What is the InChIKey of 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide?
The InChIKey is ARYJIUCJVCBRIJ-UHFFFAOYSA-S. The full InChI is InChI=1S/C22H19ClF2N8O2.C22H19ClF2N8O.C21H18Cl2F2N4O2.C21H18Cl2F2N4O.C21H18ClF3N4O2.C21H18ClF3N4O.C20H17Cl2F2N5O2.C20H17ClF3N5O2.C20H17ClF3N5O/c23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)33(35)18(15)10-21(34)29-11-16-17(4-3-9-27-16)32-14-26-13-31-32;23-15-6-7-20(30-12-22(24,25)19-5-1-2-8-28-19)32-16(15)10-21(34)29-11-17-18(4-3-9-27-17)33-14-26-13-31-33;22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29(17)31)28-13-21(24,25)18-6-1-2-9-26-18;22-15-5-3-4-14(10-15)12-27-20(30)11-17-16(23)7-8-19(29-17)28-13-21(24,25)18-6-1-2-9-26-18;22-15-8-9-19(28-13-21(24,25)18-7-3-4-10-26-18)29(31)17(15)11-20(30)27-12-14-5-1-2-6-16(14)23;22-15-8-9-19(28-13-21(24,25)18-7-3-4-10-26-18)29-17(15)11-20(30)27-12-14-5-1-2-6-16(14)23;21-13-4-3-9-25-15(13)11-27-19(30)10-16-14(22)6-7-18(29(16)31)28-12-20(23,24)17-5-1-2-8-26-17;21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29(31)16(13)10-19(30)27-11-15-14(22)4-3-9-25-15;21-13-6-7-18(28-12-20(23,24)17-5-1-2-8-26-17)29-15(13)10-19(30)27-11-16-14(22)4-3-9-25-16/h1-9,13-14,35H,10-12H2,(H,29,34);1-9,13-14H,10-12H2,(H,29,34)(H,30,32);1-10,31H,11-13H2,(H,27,30);1-10H,11-13H2,(H,27,30)(H,28,29);1-10,31H,11-13H2,(H,27,30);1-10H,11-13H2,(H,27,30)(H,28,29);2*1-9,31H,10-12H2,(H,27,30);1-9H,10-12H2,(H,27,30)(H,28,29)/p+5.
What are the key properties of 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide?
2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide has a molecular weight of 4151.10 g/mol, XLogP of 32.04, 74 rotatable bonds, 23 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-chloro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide;2-[3-chloro-6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 158864647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).