N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C234H216Cl15F30N53O23 — CID 158207323

About N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 158207323) has the molecular formula C234H216Cl15F30N53O23 and a molecular weight of 5240.39 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
• PubChem CID: 158207323
• Molecular Formula: C234H216Cl15F30N53O23
• Molecular Weight: 5240.39 g/mol
• Exact Mass: 5230.22
• IUPAC Name: N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
• SMILES: CC(C)(C)OC(=O)NCCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCCc1cccc(Cl)c1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1ccccc1-n1cncn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cnc2[nH]ccc2c1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cncc2cccnc12
• InChI: InChI=1S/C28H30Cl2F3N5O4.C27H28Cl2F3N5O4.C23H22Cl2F3N5O2.C23H19ClF3N7O2.C23H18ClF3N6O2.C22H20Cl2F3N5O2.C22H19Cl2F3N4O2.C22H18ClF3N6O2.C22H21ClF3N5O2.C22H21ClF3N5O/c1-27(2,3)42-26(40)34-10-9-17-7-8-19(29)12-18(17)14-35-23(39)13-20-21(30)15-36-25(24(20)31)37-16-28(32,33)22-6-4-5-11-38(22)41;1-26(2,3)41-25(39)35-12-16-7-8-18(28)10-17(16)13-33-22(38)11-19-20(29)14-34-24(23(19)30)36-15-27(31,32)21-6-4-5-9-37(21)40;24-16-5-4-14(6-7-29)15(9-16)11-30-20(34)10-17-18(25)12-31-22(21(17)26)32-13-23(27,28)19-3-1-2-8-33(19)35;24-17-11-30-22(31-12-23(26,27)19-7-3-4-8-34(19)36)21(25)16(17)9-20(35)29-10-15-5-1-2-6-18(15)33-14-28-13-32-33;24-17-12-31-22(32-13-23(26,27)18-5-1-2-7-33(18)35)20(25)16(17)8-19(34)30-11-15-10-28-9-14-4-3-6-29-21(14)15;23-15-5-4-13(9-28)14(7-15)10-29-19(33)8-16-17(24)11-30-21(20(16)25)31-12-22(26,27)18-3-1-2-6-32(18)34;23-15-5-3-4-14(10-15)7-8-28-19(32)11-16-17(24)12-29-21(20(16)25)30-13-22(26,27)18-6-1-2-9-31(18)33;23-16-11-30-21(31-12-22(25,26)17-3-1-2-6-32(17)34)19(24)15(16)8-18(33)28-9-13-7-14-4-5-27-20(14)29-10-13;23-17-12-29-21(30-13-22(25,26)18-7-3-4-8-31(18)33)20(24)16(17)9-19(32)28-11-15-6-2-1-5-14(15)10-27;23-17-12-30-21(31-13-22(25,26)18-7-3-4-8-28-18)20(24)16(17)9-19(32)29-11-15-6-2-1-5-14(15)10-27/h4-8,11-12,15H,9-10,13-14,16H2,1-3H3,(H,34,40)(H,35,39)(H,36,37);4-10,14H,11-13,15H2,1-3H3,(H,33,38)(H,34,36)(H,35,39);1-5,8-9,12H,6-7,10-11,13,29H2,(H,30,34)(H,31,32);1-8,11,13-14H,9-10,12H2,(H,29,35)(H,30,31);1-7,9-10,12H,8,11,13H2,(H,30,34)(H,31,32);1-7,11H,8-10,12,28H2,(H,29,33)(H,30,31);1-6,9-10,12H,7-8,11,13H2,(H,28,32)(H,29,30);1-7,10-11H,8-9,12H2,(H,27,29)(H,28,33)(H,30,31);1-8,12H,9-11,13,27H2,(H,28,32)(H,29,30);1-8,12H,9-11,13,27H2,(H,29,32)(H,30,31)
• InChIKey: GBQPMNFVAHVVMV-UHFFFAOYSA-N
• XLogP: 39.14
• TPSA: 1061.46 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 54
• Rotatable Bonds: 92
• Heavy Atoms: 355
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5240.39
LogP ≤ 5	39.14
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?

The IUPAC name of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 158207323) is N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

What is the SMILES notation for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?

The canonical SMILES for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is CC(C)(C)OC(=O)NCCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F.NCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCCc1cccc(Cl)c1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1ccccc1-n1cncn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cnc2[nH]ccc2c1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cncc2cccnc12.

What is the InChIKey of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?

The InChIKey is GBQPMNFVAHVVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2F3N5O4.C27H28Cl2F3N5O4.C23H22Cl2F3N5O2.C23H19ClF3N7O2.C23H18ClF3N6O2.C22H20Cl2F3N5O2.C22H19Cl2F3N4O2.C22H18ClF3N6O2.C22H21ClF3N5O2.C22H21ClF3N5O/c1-27(2,3)42-26(40)34-10-9-17-7-8-19(29)12-18(17)14-35-23(39)13-20-21(30)15-36-25(24(20)31)37-16-28(32,33)22-6-4-5-11-38(22)41;1-26(2,3)41-25(39)35-12-16-7-8-18(28)10-17(16)13-33-22(38)11-19-20(29)14-34-24(23(19)30)36-15-27(31,32)21-6-4-5-9-37(21)40;24-16-5-4-14(6-7-29)15(9-16)11-30-20(34)10-17-18(25)12-31-22(21(17)26)32-13-23(27,28)19-3-1-2-8-33(19)35;24-17-11-30-22(31-12-23(26,27)19-7-3-4-8-34(19)36)21(25)16(17)9-20(35)29-10-15-5-1-2-6-18(15)33-14-28-13-32-33;24-17-12-31-22(32-13-23(26,27)18-5-1-2-7-33(18)35)20(25)16(17)8-19(34)30-11-15-10-28-9-14-4-3-6-29-21(14)15;23-15-5-4-13(9-28)14(7-15)10-29-19(33)8-16-17(24)11-30-21(20(16)25)31-12-22(26,27)18-3-1-2-6-32(18)34;23-15-5-3-4-14(10-15)7-8-28-19(32)11-16-17(24)12-29-21(20(16)25)30-13-22(26,27)18-6-1-2-9-31(18)33;23-16-11-30-21(31-12-22(25,26)17-3-1-2-6-32(17)34)19(24)15(16)8-18(33)28-9-13-7-14-4-5-27-20(14)29-10-13;23-17-12-29-21(30-13-22(25,26)18-7-3-4-8-31(18)33)20(24)16(17)9-19(32)28-11-15-6-2-1-5-14(15)10-27;23-17-12-30-21(31-13-22(25,26)18-7-3-4-8-28-18)20(24)16(17)9-19(32)29-11-15-6-2-1-5-14(15)10-27/h4-8,11-12,15H,9-10,13-14,16H2,1-3H3,(H,34,40)(H,35,39)(H,36,37);4-10,14H,11-13,15H2,1-3H3,(H,33,38)(H,34,36)(H,35,39);1-5,8-9,12H,6-7,10-11,13,29H2,(H,30,34)(H,31,32);1-8,11,13-14H,9-10,12H2,(H,29,35)(H,30,31);1-7,9-10,12H,8,11,13H2,(H,30,34)(H,31,32);1-7,11H,8-10,12,28H2,(H,29,33)(H,30,31);1-6,9-10,12H,7-8,11,13H2,(H,28,32)(H,29,30);1-7,10-11H,8-9,12H2,(H,27,29)(H,28,33)(H,30,31);1-8,12H,9-11,13,27H2,(H,28,32)(H,29,30);1-8,12H,9-11,13,27H2,(H,29,32)(H,30,31).

What are the key properties of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?

N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 5240.39 g/mol, XLogP of 39.14, 92 rotatable bonds, 27 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;tert-butyl N-[[4-chloro-2-[[[2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[2-(3-chlorophenyl)ethyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1,6-naphthyridin-8-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 158207323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).