C124H107Br2Cl2F7N20O12 — CID 158933780
N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-chloro-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 158933780) has the molecular formula C124H107Br2Cl2F7N20O12 and a molecular weight of 2433.05 g/mol. Its IUPAC name is N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-chloro-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-chloro-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 158933780 |
| Molecular Formula | C124H107Br2Cl2F7N20O12 |
| Molecular Weight | 2433.05 g/mol |
| Exact Mass | 2428.60 |
| IUPAC Name | N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-chloro-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | COc1c(Br)cc(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc(C=O)c(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc2ccccc2cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1ccc(OC(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3c(Cl)ccc(C)c3F)c(N)n2)cc1.Nc1nc(NC(=O)c2cccc(Br)c2)ccc1-c1cc(C(F)(F)F)nn1Cl |
| InChI | InChI=1S/C24H21N3O2.C22H21N3O3.C21H20BrN3O2.C21H18F3N3O3.C20H17ClFN3O.C16H10BrClF3N5O/c1-15-7-9-16(10-8-15)24(28)27-22-12-11-19(23(25)26-22)20-13-17-5-3-4-6-18(17)14-21(20)29-2;1-13-4-6-15(7-5-13)22(27)25-20-9-8-17(21(23)24-20)18-10-14(2)16(12-26)11-19(18)28-3;1-12-4-6-14(7-5-12)21(26)25-18-9-8-15(20(23)24-18)16-10-13(2)11-17(22)19(16)27-3;1-12-3-5-13(6-4-12)20(28)27-18-10-8-15(19(25)26-18)16-11-14(30-21(22,23)24)7-9-17(16)29-2;1-11-3-6-13(7-4-11)20(26)25-16-10-8-14(19(23)24-16)17-15(21)9-5-12(2)18(17)22;17-9-3-1-2-8(6-9)15(27)24-13-5-4-10(14(22)23-13)11-7-12(16(19,20)21)25-26(11)18/h3-14H,1-2H3,(H3,25,26,27,28);4-12H,1-3H3,(H3,23,24,25,27);4-11H,1-3H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,23,24,25,26);1-7H,(H3,22,23,24,27) |
| InChIKey | JJJWPYYLYXAKCE-UHFFFAOYSA-N |
| XLogP | 28.40 |
| TPSA | 489.10 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2433.05 |
| LogP ≤ 5 | 28.40 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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