C171H260ClN23O24S2 — CID 161205472
5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-6-chloro-4-methyl-2-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-carboxamide;ethyl 4-amino-5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate;ethyl 5-[[4-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carboxylate;ethyl 5-[[3-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate;5-[[2-[2-ethylhexyl(2-propylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-N,N-dipropyl-1H-pyridine-3-carboxamide (PubChem CID 161205472) has the molecular formula C171H260ClN23O24S2 and a molecular weight of 3121.68 g/mol. Its IUPAC name is 5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-6-chloro-4-methyl-2-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-carboxamide;ethyl 4-amino-5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate;ethyl 5-[[4-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carboxylate;ethyl 5-[[3-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate;5-[[2-[2-ethylhexyl(2-propylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-N,N-dipropyl-1H-pyridine-3-carboxamide.
| Compound Name | 5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-6-chloro-4-methyl-2-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-carboxamide;ethyl 4-amino-5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate;ethyl 5-[[4-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carboxylate;ethyl 5-[[3-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate;5-[[2-[2-ethylhexyl(2-propylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-N,N-dipropyl-1H-pyridine-3-carboxamide |
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| PubChem CID | 161205472 |
| Molecular Formula | C171H260ClN23O24S2 |
| Molecular Weight | 3121.68 g/mol |
| Exact Mass | 3118.90 |
| IUPAC Name | 5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-6-chloro-4-methyl-2-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-carboxamide;ethyl 4-amino-5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate;ethyl 5-[[4-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carboxylate;ethyl 5-[[3-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate;5-[[2-[2-ethylhexyl(2-propylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-N,N-dipropyl-1H-pyridine-3-carboxamide |
| SMILES | CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(/N=N/c2c(-c3ccccc3)c(C(=O)OCC)c(O)[nH]c2=O)cc1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/c1c(Cl)[nH]c(=O)c(C(=O)N(C(C)C)C(C)C)c1C.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/c1c(N)c(C(=O)OCC)c(O)[nH]c1=O.CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1cccc(/N=N/c2c(C)c(C(=O)OCC)c(O)[nH]c2=O)c1.CCCCC(CC)CN(CC(CCC)CCCC)S(=O)(=O)c1ccccc1/N=N/c1c(C)c(C(=O)N(CCC)CCC)c(O)[nH]c1=O |
| InChI | InChI=1S/C37H50N4O5.C36H56ClN5O3.C36H59N5O5S.C31H47N5O5.C31H48N4O6S/c1-6-11-16-26(8-3)24-41(25-27(9-4)17-12-7-2)36(44)29-20-22-30(23-21-29)39-40-33-31(28-18-14-13-15-19-28)32(37(45)46-10-5)34(42)38-35(33)43;1-10-14-18-27(12-3)22-41(23-28(13-4)19-15-11-2)35(44)29-20-16-17-21-30(29)39-40-32-26(9)31(34(43)38-33(32)37)36(45)42(24(5)6)25(7)8;1-8-14-19-28(13-6)25-41(26-29(18-10-3)20-15-9-2)47(45,46)31-22-17-16-21-30(31)38-39-33-27(7)32(34(42)37-35(33)43)36(44)40(23-11-4)24-12-5;1-6-11-15-21(8-3)19-36(20-22(9-4)16-12-7-2)30(39)23-17-13-14-18-24(23)34-35-27-26(32)25(31(40)41-10-5)28(37)33-29(27)38;1-7-12-15-23(9-3)20-35(21-24(10-4)16-13-8-2)42(39,40)26-18-14-17-25(19-26)33-34-28-22(6)27(31(38)41-11-5)29(36)32-30(28)37/h13-15,18-23,26-27H,6-12,16-17,24-25H2,1-5H3,(H2,38,42,43);16-17,20-21,24-25,27-28H,10-15,18-19,22-23H2,1-9H3,(H,38,43);16-17,21-22,28-29H,8-15,18-20,23-26H2,1-7H3,(H2,37,42,43);13-14,17-18,21-22H,6-12,15-16,19-20H2,1-5H3,(H4,32,33,37,38);14,17-19,23-24H,7-13,15-16,20-21H2,1-6H3,(H2,32,36,37)/b2*40-39+;39-38+;35-34+;34-33+ |
| InChIKey | UVNQOJYBEVIIPW-PGOFUWGZSA-N |
| XLogP | 42.52 |
| TPSA | 650.05 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 93 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3121.68 |
| LogP ≤ 5 | 42.52 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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