About N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide
N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide (PubChem CID 158565510) has the molecular formula C158H150Cl7F14N46O12+5
and a molecular weight of 3399.39 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide (CID 158565510) is N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide is N#Cc1ccc(NCC(F)(F)c2cccc[n+]2O)[n+](O)c1CC(=O)NCc1cc(Cl)ccc1CCN.NCc1ccc(Cl)cc1CNC(=O)Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1O.NCc1ccc(Cl)cc1CNC(=O)Cc1cccc(NCC(F)(F)c2ccccn2)n1.O=C(Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1O)NCc1cc(Cl)ccc1-n1cnnn1.O=C(Cc1cccc(NCC(F)(F)c2ccccn2)n1)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cc1cccc(NCC(F)(F)c2ccccn2)n1)NCc1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide?
The InChIKey is CZMYUCBBMDYAJZ-UHFFFAOYSA-S. The full InChI is InChI=1S/C24H23ClF2N6O3.C23H20ClF2N7O2.C23H20ClF2N7O.C22H19ClF2N8O2.C22H19ClF2N8O.C22H22ClF2N5O2.C22H22ClF2N5O/c25-19-6-4-16(8-9-28)18(11-19)14-30-23(34)12-20-17(13-29)5-7-22(33(20)36)31-15-24(26,27)21-3-1-2-10-32(21)35;24-17-7-8-19(32-15-27-14-31-32)16(10-17)12-29-22(34)11-18-4-3-6-21(33(18)35)30-13-23(25,26)20-5-1-2-9-28-20;24-17-7-8-19(33-15-27-14-31-33)16(10-17)12-29-22(34)11-18-4-3-6-21(32-18)30-13-23(25,26)20-5-1-2-9-28-20;23-16-7-8-18(32-14-29-30-31-32)15(10-16)12-27-21(34)11-17-4-3-6-20(33(17)35)28-13-22(24,25)19-5-1-2-9-26-19;23-16-7-8-18(33-14-29-31-32-33)15(10-16)12-27-21(34)11-17-4-3-6-20(30-17)28-13-22(24,25)19-5-1-2-9-26-19;23-17-8-7-15(12-26)16(10-17)13-28-21(31)11-18-4-3-6-20(30(18)32)29-14-22(24,25)19-5-1-2-9-27-19;23-17-8-7-15(12-26)16(10-17)13-28-21(31)11-18-4-3-6-20(30-18)29-14-22(24,25)19-5-1-2-9-27-19/h1-7,10-11,36H,8-9,12,14-15,28H2,(H-,30,34,35);1-10,14-15,35H,11-13H2,(H,29,34);1-10,14-15H,11-13H2,(H,29,34)(H,30,32);1-10,14,35H,11-13H2,(H,27,34);1-10,14H,11-13H2,(H,27,34)(H,28,30);1-10,32H,11-14,26H2,(H,28,31);1-10H,11-14,26H2,(H,28,31)(H,29,30)/p+5.
What are the key properties of N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide?
N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide has a molecular weight of 3399.39 g/mol, XLogP of 20.40, 64 rotatable bonds, 22 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-2-[3-cyano-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1-hydroxypyridin-1-ium-2-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 158565510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).