N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C180H166Cl9F24N53O13 — CID 160792461

About N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 160792461) has the molecular formula C180H166Cl9F24N53O13 and a molecular weight of 4054.69 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
• PubChem CID: 160792461
• Molecular Formula: C180H166Cl9F24N53O13
• Molecular Weight: 4054.69 g/mol
• Exact Mass: 4048.08
• IUPAC Name: N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
• SMILES: CC(C)(C)OC(=O)NCCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.NC(N)=NC(=O)CCNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.NCCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1ccccc1-n1cnnn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1ncccc1-n1cncn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1ccccc1-n1cncn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1ccccc1-n1cnnn1
• InChI: InChI=1S/C28H31ClF3N5O3.C23H19ClF3N7O.C23H23ClF3N5O.C22H20Cl2F3N5O.2C22H18ClF3N8O2.C22H18ClF3N8O.C18H19ClF3N7O2/c1-27(2,3)40-26(39)34-13-11-18-8-4-5-9-19(18)15-35-23(38)14-20-21(29)16-36-25(24(20)30)37-17-28(31,32)22-10-6-7-12-33-22;24-17-11-31-22(32-12-23(26,27)19-7-3-4-8-29-19)21(25)16(17)9-20(35)30-10-15-5-1-2-6-18(15)34-14-28-13-33-34;24-18-13-31-22(32-14-23(26,27)19-7-3-4-10-29-19)21(25)17(18)11-20(33)30-12-16-6-2-1-5-15(16)8-9-28;23-15-5-4-13(9-28)14(7-15)10-30-19(33)8-16-17(24)11-31-21(20(16)25)32-12-22(26,27)18-3-1-2-6-29-18;23-15-9-30-21(31-11-22(25,26)18-5-1-2-7-34(18)36)20(24)14(15)8-19(35)29-10-16-17(4-3-6-28-16)33-13-27-12-32-33;23-16-11-28-21(29-12-22(25,26)18-7-3-4-8-34(18)36)20(24)15(16)9-19(35)27-10-14-5-1-2-6-17(14)33-13-30-31-32-33;23-16-11-29-21(30-12-22(25,26)18-7-3-4-8-27-18)20(24)15(16)9-19(35)28-10-14-5-1-2-6-17(14)34-13-31-32-33-34;19-11-8-27-16(28-9-18(21,22)12-3-1-2-5-25-12)15(20)10(11)7-14(31)26-6-4-13(30)29-17(23)24/h4-10,12,16H,11,13-15,17H2,1-3H3,(H,34,39)(H,35,38)(H,36,37);1-8,11,13-14H,9-10,12H2,(H,30,35)(H,31,32);1-7,10,13H,8-9,11-12,14,28H2,(H,30,33)(H,31,32);1-7,11H,8-10,12,28H2,(H,30,33)(H,31,32);1-7,9,12-13H,8,10-11H2,(H,29,35)(H,30,31);1-8,11,13H,9-10,12H2,(H,27,35)(H,28,29);1-8,11,13H,9-10,12H2,(H,28,35)(H,29,30);1-3,5,8H,4,6-7,9H2,(H,26,31)(H,27,28)(H4,23,24,29,30)
• InChIKey: SBZRLXNXGWLDSG-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 896.73 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 52
• Rotatable Bonds: 75
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4054.69
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 160792461) is N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)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)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?

The canonical SMILES for N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is CC(C)(C)OC(=O)NCCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.NC(N)=NC(=O)CCNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.NCCc1ccccc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1ccccc1-n1cnnn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1ncccc1-n1cncn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1ccccc1-n1cncn1.O=C(Cc1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1F)NCc1ccccc1-n1cnnn1.

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

The InChIKey is SBZRLXNXGWLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF3N5O3.C23H19ClF3N7O.C23H23ClF3N5O.C22H20Cl2F3N5O.2C22H18ClF3N8O2.C22H18ClF3N8O.C18H19ClF3N7O2/c1-27(2,3)40-26(39)34-13-11-18-8-4-5-9-19(18)15-35-23(38)14-20-21(29)16-36-25(24(20)30)37-17-28(31,32)22-10-6-7-12-33-22;24-17-11-31-22(32-12-23(26,27)19-7-3-4-8-29-19)21(25)16(17)9-20(35)30-10-15-5-1-2-6-18(15)34-14-28-13-33-34;24-18-13-31-22(32-14-23(26,27)19-7-3-4-10-29-19)21(25)17(18)11-20(33)30-12-16-6-2-1-5-15(16)8-9-28;23-15-5-4-13(9-28)14(7-15)10-30-19(33)8-16-17(24)11-31-21(20(16)25)32-12-22(26,27)18-3-1-2-6-29-18;23-15-9-30-21(31-11-22(25,26)18-5-1-2-7-34(18)36)20(24)14(15)8-19(35)29-10-16-17(4-3-6-28-16)33-13-27-12-32-33;23-16-11-28-21(29-12-22(25,26)18-7-3-4-8-34(18)36)20(24)15(16)9-19(35)27-10-14-5-1-2-6-17(14)33-13-30-31-32-33;23-16-11-29-21(30-12-22(25,26)18-7-3-4-8-27-18)20(24)15(16)9-19(35)28-10-14-5-1-2-6-17(14)34-13-31-32-33-34;19-11-8-27-16(28-9-18(21,22)12-3-1-2-5-25-12)15(20)10(11)7-14(31)26-6-4-13(30)29-17(23)24/h4-10,12,16H,11,13-15,17H2,1-3H3,(H,34,39)(H,35,38)(H,36,37);1-8,11,13-14H,9-10,12H2,(H,30,35)(H,31,32);1-7,10,13H,8-9,11-12,14,28H2,(H,30,33)(H,31,32);1-7,11H,8-10,12,28H2,(H,30,33)(H,31,32);1-7,9,12-13H,8,10-11H2,(H,29,35)(H,30,31);1-8,11,13H,9-10,12H2,(H,27,35)(H,28,29);1-8,11,13H,9-10,12H2,(H,28,35)(H,29,30);1-3,5,8H,4,6-7,9H2,(H,26,31)(H,27,28)(H4,23,24,29,30).

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

N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 4054.69 g/mol, XLogP of 27.31, 75 rotatable bonds, 21 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-aminoethyl)phenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;tert-butyl N-[2-[2-[[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]methyl]phenyl]ethyl]carbamate;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;3-[[2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetyl]amino]-N-(diaminomethylidene)propanamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 160792461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).