C121H106F3N21O5 — CID 159706389
2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide;2-(3-methyl-4-pyridin-3-ylphenyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 159706389) has the molecular formula C121H106F3N21O5 and a molecular weight of 1991.31 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide;2-(3-methyl-4-pyridin-3-ylphenyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
| Compound Name | 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide;2-(3-methyl-4-pyridin-3-ylphenyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide |
|---|---|
| PubChem CID | 159706389 |
| Molecular Formula | C121H106F3N21O5 |
| Molecular Weight | 1991.31 g/mol |
| Exact Mass | 1989.86 |
| IUPAC Name | 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide;2-(3-methyl-4-pyridin-3-ylphenyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide |
| SMILES | Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccn4)cn3)cc2C)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C(F)(F)F)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCCCC4)nc3)cc2)ccn1.Cc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)ccc1-c1cccnc1 |
| InChI | InChI=1S/C25H22N4O.C24H18F3N5O.2C24H20N4O.C24H26N4O/c1-17-13-19(6-8-22(17)20-10-12-26-18(2)14-20)15-25(30)29-24-9-7-21(16-28-24)23-5-3-4-11-27-23;1-15-10-17(6-7-29-15)19-4-2-16(11-20(19)24(25,26)27)12-23(33)32-22-5-3-18(13-31-22)21-14-28-8-9-30-21;1-17-13-20(10-12-26-17)19-6-4-18(5-7-19)14-24(29)28-23-9-8-22(16-27-23)21-3-2-11-25-15-21;1-17-13-18(7-9-21(17)19-5-4-11-25-15-19)14-24(29)28-23-10-8-20(16-27-23)22-6-2-3-12-26-22;1-18-15-21(11-12-25-18)20-7-5-19(6-8-20)16-24(29)27-22-9-10-23(26-17-22)28-13-3-2-4-14-28/h3-14,16H,15H2,1-2H3,(H,28,29,30);2-11,13-14H,12H2,1H3,(H,31,32,33);2*2-13,15-16H,14H2,1H3,(H,27,28,29);5-12,15,17H,2-4,13-14,16H2,1H3,(H,27,29) |
| InChIKey | MYGPLJKGSCLSQT-UHFFFAOYSA-N |
| XLogP | 24.13 |
| TPSA | 342.09 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1991.31 |
| LogP ≤ 5 | 24.13 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |