C131H110Cl7F4N23O7S2 — CID 158633950
N-[6-amino-3-chloro-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,4,6-trifluorophenyl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 158633950) has the molecular formula C131H110Cl7F4N23O7S2 and a molecular weight of 2506.77 g/mol. Its IUPAC name is N-[6-amino-3-chloro-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,4,6-trifluorophenyl)-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-3-chloro-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,4,6-trifluorophenyl)-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 158633950 |
| Molecular Formula | C131H110Cl7F4N23O7S2 |
| Molecular Weight | 2506.77 g/mol |
| Exact Mass | 2501.62 |
| IUPAC Name | N-[6-amino-3-chloro-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,4,6-trifluorophenyl)-2-pyridinyl]-4-methylbenzamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc(-c3c(F)cc(F)cc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(F)ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccncc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cnc(Cl)cc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sc(Cl)cc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2nc(N)c(-c3sc(Cl)cc3C)cc2Cl)cc1 |
| InChI | InChI=1S/C20H18FN3O.C19H15Cl2N3O.C19H17ClN4O.C19H14F3N3O.C18H15Cl2N3OS.C18H15ClN4O.C18H16ClN3OS/c1-12-3-6-14(7-4-12)20(25)24-18-10-9-16(19(22)23-18)17-11-15(21)8-5-13(17)2;1-11-2-4-12(5-3-11)19(25)24-17-9-7-14(18(22)23-17)15-10-13(20)6-8-16(15)21;1-11-3-5-13(6-4-11)19(25)24-17-8-7-14(18(21)23-17)15-10-22-16(20)9-12(15)2;1-10-2-4-11(5-3-10)19(26)25-16-7-6-13(18(23)24-16)17-14(21)8-12(20)9-15(17)22;1-9-3-5-11(6-4-9)18(24)23-17-13(19)8-12(16(21)22-17)15-10(2)7-14(20)25-15;1-11-2-4-12(5-3-11)18(24)23-16-7-6-14(17(20)22-16)13-8-9-21-10-15(13)19;1-10-3-5-12(6-4-10)18(23)22-15-8-7-13(17(20)21-15)16-11(2)9-14(19)24-16/h3-11H,1-2H3,(H3,22,23,24,25);2-10H,1H3,(H3,22,23,24,25);3-10H,1-2H3,(H3,21,23,24,25);2-9H,1H3,(H3,23,24,25,26);3-8H,1-2H3,(H3,21,22,23,24);2-10H,1H3,(H3,20,22,23,24);3-9H,1-2H3,(H3,20,21,22,23) |
| InChIKey | HZNOGLVTGOFJLU-UHFFFAOYSA-N |
| XLogP | 32.52 |
| TPSA | 501.85 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2506.77 |
| LogP ≤ 5 | 32.52 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|