C123H108Br2ClF9N22O11 — CID 159352021
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-(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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-(1,1-difluoroethoxy)benzamide (PubChem CID 159352021) has the molecular formula C123H108Br2ClF9N22O11 and a molecular weight of 2436.60 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-(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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-(1,1-difluoroethoxy)benzamide.
| 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-(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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-(1,1-difluoroethoxy)benzamide |
|---|---|
| PubChem CID | 159352021 |
| Molecular Formula | C123H108Br2ClF9N22O11 |
| Molecular Weight | 2436.60 g/mol |
| Exact Mass | 2432.65 |
| 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-(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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-(1,1-difluoroethoxy)benzamide |
| 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.Cc1ccc(C(=O)Nc2ccc(-c3c(Cl)ccc(C)c3F)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(OC(C)(F)F)cc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(Br)c2)nc1N |
| InChI | InChI=1S/C24H21N3O2.C22H21N3O3.C21H20BrN3O2.C20H17ClFN3O.C19H16F5N5O2.C17H13BrF3N5O/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;1-11-3-6-13(7-4-11)20(26)25-16-10-8-14(19(23)24-16)17-15(21)9-5-12(2)18(17)22;1-18(20,21)31-11-5-3-10(4-6-11)17(30)27-15-8-7-12(16(25)26-15)13-9-14(19(22,23)24)28-29(13)2;1-26-12(8-13(25-26)17(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(18)7-9/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);3-10H,1-2H3,(H3,23,24,25,26);3-9H,1-2H3,(H3,25,26,27,30);2-8H,1H3,(H3,22,23,24,27) |
| InChIKey | LHLFURHYXDOFSD-UHFFFAOYSA-N |
| XLogP | 27.46 |
| TPSA | 497.69 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2436.60 |
| LogP ≤ 5 | 27.46 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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