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

C68H60Cl3F9N20O5 — CID 159004752

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

N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide (PubChem CID 159004752) has the molecular formula C68H60Cl3F9N20O5 and a molecular weight of 1514.70 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide
• PubChem CID: 159004752
• Molecular Formula: C68H60Cl3F9N20O5
• Molecular Weight: 1514.70 g/mol
• Exact Mass: 1512.40
• IUPAC Name: N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide
• SMILES: NCCc1ccc(Cl)cc1CNC(=O)Cc1ccnc(NCC(F)(F)c2ccccn2)c1F.O=C(Cc1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cc1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cc(Cl)ccc1-n1cnnn1
• InChI: InChI=1S/C23H19ClF3N7O2.C23H23ClF3N5O.C22H18ClF3N8O2/c24-17-4-5-18(33-14-28-13-32-33)16(9-17)11-30-20(35)10-15-6-7-29-22(21(15)25)31-12-23(26,27)19-3-1-2-8-34(19)36;24-18-5-4-15(6-8-28)17(11-18)13-31-20(33)12-16-7-10-30-22(21(16)25)32-14-23(26,27)19-3-1-2-9-29-19;23-16-4-5-17(33-13-30-31-32-33)15(9-16)11-28-19(35)10-14-6-7-27-21(20(14)24)29-12-22(25,26)18-3-1-2-8-34(18)36/h1-9,13-14H,10-12H2,(H,29,31)(H,30,35);1-5,7,9-11H,6,8,12-14,28H2,(H,30,32)(H,31,33);1-9,13H,10-12H2,(H,27,29)(H,28,35)
• InChIKey: JRTYPRJXTPNAPI-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 329.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1514.70
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'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)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide?

The IUPAC name of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide (CID 159004752) is N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide.

What is the SMILES notation for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide?

The canonical SMILES for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide is NCCc1ccc(Cl)cc1CNC(=O)Cc1ccnc(NCC(F)(F)c2ccccn2)c1F.O=C(Cc1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cc1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1F)NCc1cc(Cl)ccc1-n1cnnn1.

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

The InChIKey is JRTYPRJXTPNAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N7O2.C23H23ClF3N5O.C22H18ClF3N8O2/c24-17-4-5-18(33-14-28-13-32-33)16(9-17)11-30-20(35)10-15-6-7-29-22(21(15)25)31-12-23(26,27)19-3-1-2-8-34(19)36;24-18-5-4-15(6-8-28)17(11-18)13-31-20(33)12-16-7-10-30-22(21(16)25)32-14-23(26,27)19-3-1-2-9-29-19;23-16-4-5-17(33-13-30-31-32-33)15(9-16)11-28-19(35)10-14-6-7-27-21(20(14)24)29-12-22(25,26)18-3-1-2-8-34(18)36/h1-9,13-14H,10-12H2,(H,29,31)(H,30,35);1-5,7,9-11H,6,8,12-14,28H2,(H,30,32)(H,31,33);1-9,13H,10-12H2,(H,27,29)(H,28,35).

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

N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide has a molecular weight of 1514.70 g/mol, XLogP of 9.53, 28 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[2-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-3-fluoro-4-pyridinyl]acetamide is sourced from PubChem (CID 159004752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).