C150H114Cl13F6N25O20S2 — CID 157169881
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide;3-chloro-N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]benzamide;N-[4-chloro-3-[(4-methoxybenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[2-chloro-5-[[4-(methylsulfonylmethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 157169881) has the molecular formula C150H114Cl13F6N25O20S2 and a molecular weight of 3225.73 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide;3-chloro-N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]benzamide;N-[4-chloro-3-[(4-methoxybenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[2-chloro-5-[[4-(methylsulfonylmethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide.
| Compound Name | 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide;3-chloro-N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]benzamide;N-[4-chloro-3-[(4-methoxybenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[2-chloro-5-[[4-(methylsulfonylmethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide |
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| PubChem CID | 157169881 |
| Molecular Formula | C150H114Cl13F6N25O20S2 |
| Molecular Weight | 3225.73 g/mol |
| Exact Mass | 3217.40 |
| IUPAC Name | 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxamide;3-chloro-N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]phenyl]benzamide;N-[4-chloro-3-[(4-methoxybenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[2-chloro-5-[[4-(methylsulfonylmethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide |
| SMILES | CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)cn2)CC1.COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)cc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)c(Cl)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(-n2cncn2)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(Cl)nc1 |
| InChI | InChI=1S/C25H23Cl2N5O3.C22H15Cl2N5O2.C22H17ClF3N3O3.C21H14Cl2F3N3O2.C21H18ClN3O4S.C20H15Cl2N3O4S.C19H12Cl3N3O2/c1-16(33)31-10-12-32(13-11-31)23-9-6-17(15-28-23)24(34)29-18-7-8-21(27)22(14-18)30-25(35)19-4-2-3-5-20(19)26;23-16-3-1-2-15(10-16)22(31)28-20-11-17(6-9-19(20)24)27-21(30)14-4-7-18(8-5-14)29-13-25-12-26-29;1-12-16(8-10-19(27-12)22(24,25)26)21(31)28-14-5-9-17(23)18(11-14)29-20(30)13-3-6-15(32-2)7-4-13;1-11-13(7-9-18(27-11)21(24,25)26)19(30)28-12-6-8-16(23)17(10-12)29-20(31)14-4-2-3-5-15(14)22;1-30(28,29)13-14-4-6-15(7-5-14)20(26)24-17-8-9-18(22)19(11-17)25-21(27)16-3-2-10-23-12-16;1-30(28,29)14-5-6-15(17(22)10-14)20(27)24-13-4-7-16(21)18(9-13)25-19(26)12-3-2-8-23-11-12;20-13-3-1-2-11(8-13)18(26)25-16-9-14(5-6-15(16)21)24-19(27)12-4-7-17(22)23-10-12/h2-9,14-15H,10-13H2,1H3,(H,29,34)(H,30,35);1-13H,(H,27,30)(H,28,31);3-11H,1-2H3,(H,28,31)(H,29,30);2-10H,1H3,(H,28,30)(H,29,31);2-12H,13H2,1H3,(H,24,26)(H,25,27);2-11H,1H3,(H,24,27)(H,25,26);1-10H,(H,24,27)(H,25,26) |
| InChIKey | ANINEAQYBDKYLA-UHFFFAOYSA-N |
| XLogP | 35.06 |
| TPSA | 616.51 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3225.73 |
| LogP ≤ 5 | 35.06 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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