C150H153N29O12 — CID 157070780
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyridazin-4-yl-2-pyridinyl)acetamide (PubChem CID 157070780) has the molecular formula C150H153N29O12 and a molecular weight of 2554.06 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyridazin-4-yl-2-pyridinyl)acetamide.
| Compound Name | N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyridazin-4-yl-2-pyridinyl)acetamide |
|---|---|
| PubChem CID | 157070780 |
| Molecular Formula | C150H153N29O12 |
| Molecular Weight | 2554.06 g/mol |
| Exact Mass | 2552.23 |
| IUPAC Name | N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyridazin-4-yl-2-pyridinyl)acetamide |
| SMILES | CC(=O)N1CCC(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)nc2)CC1.COC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)nc2)CC1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)ccn1.Cc1cc(CC(=O)Nc2ccc(-c3ccnnc3)cn2)ccc1-c1ccncc1.Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccncc1 |
| InChI | InChI=1S/C28H33N5O3.C26H28N4O2.C25H27N5O3.C25H27N5O2.2C23H19N5O/c1-20-17-23(11-12-29-20)22-7-5-21(6-8-22)18-26(34)31-25-10-9-24(19-30-25)32-13-15-33(16-14-32)27(35)36-28(2,3)4;1-18-15-23(9-12-27-18)21-5-3-20(4-6-21)16-26(32)29-24-7-8-25(28-17-24)22-10-13-30(14-11-22)19(2)31;1-18-15-21(9-10-26-18)20-5-3-19(4-6-20)16-24(31)28-23-8-7-22(17-27-23)29-11-13-30(14-12-29)25(32)33-2;1-18-15-22(9-10-26-18)21-5-3-20(4-6-21)16-25(32)28-24-8-7-23(17-27-24)30-13-11-29(12-14-30)19(2)31;1-16-12-17(2-4-21(16)18-6-9-24-10-7-18)13-23(29)28-22-5-3-19(14-25-22)20-8-11-26-27-15-20;1-16-12-17(2-4-20(16)18-6-8-24-9-7-18)13-23(29)28-22-5-3-19(14-27-22)21-15-25-10-11-26-21/h5-12,17,19H,13-16,18H2,1-4H3,(H,30,31,34);3-9,12,15,17,22H,10-11,13-14,16H2,1-2H3,(H,29,32);3-10,15,17H,11-14,16H2,1-2H3,(H,27,28,31);3-10,15,17H,11-14,16H2,1-2H3,(H,27,28,32);2-12,14-15H,13H2,1H3,(H,25,28,29);2-12,14-15H,13H2,1H3,(H,27,28,29) |
| InChIKey | ACKFFSMQOFAPGE-UHFFFAOYSA-N |
| XLogP | 24.05 |
| TPSA | 490.26 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2554.06 |
| LogP ≤ 5 | 24.05 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |