C109H100BrClF3N23O9S3 — CID 158758319
N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 158758319) has the molecular formula C109H100BrClF3N23O9S3 and a molecular weight of 2144.70 g/mol. Its IUPAC name is N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.
| Compound Name | N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 158758319 |
| Molecular Formula | C109H100BrClF3N23O9S3 |
| Molecular Weight | 2144.70 g/mol |
| Exact Mass | 2141.61 |
| IUPAC Name | N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide |
| SMILES | COc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(OC)nn1.COc1cc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)cn1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sc(Br)cc3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N |
| InChI | InChI=1S/C20H20N4O2.C19H19N5O3.C18H16BrN3OS.C18H17N3OS.C17H14ClN3OS.C17H14F3N5O/c1-12-4-6-14(7-5-12)20(25)24-17-9-8-15(19(21)23-17)16-11-22-18(26-3)10-13(16)2;1-11-4-6-12(7-5-11)18(25)22-15-9-8-13(17(20)21-15)14-10-16(26-2)23-24-19(14)27-3;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;1-11-3-6-13(7-4-11)18(22)21-16-10-8-14(17(19)20-16)15-9-5-12(2)23-15;1-10-2-4-11(5-3-10)17(22)21-15-9-6-12(16(19)20-15)13-7-8-14(18)23-13;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h4-11H,1-3H3,(H3,21,23,24,25);4-10H,1-3H3,(H3,20,21,22,25);3-9H,1-2H3,(H3,20,21,22,23);3-10H,1-2H3,(H3,19,20,21,22);2-9H,1H3,(H3,19,20,21,22);2-9H,1H3,(H3,21,22,23,26) |
| InChIKey | IOIVJBQIQRCQQU-UHFFFAOYSA-N |
| XLogP | 23.53 |
| TPSA | 492.24 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2144.70 |
| LogP ≤ 5 | 23.53 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 29 |