C69H56Cl3N15O9 — CID 158322028
N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide (PubChem CID 158322028) has the molecular formula C69H56Cl3N15O9 and a molecular weight of 1345.66 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide.
| Compound Name | N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158322028 |
| Molecular Formula | C69H56Cl3N15O9 |
| Molecular Weight | 1345.66 g/mol |
| Exact Mass | 1343.35 |
| IUPAC Name | N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide |
| SMILES | O=C(Nc1cccnc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1.O=C(Nc1ccncc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1.O=C(Nc1ncccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1 |
| InChI | InChI=1S/C23H20ClN5O3.C23H16ClN5O3.C23H20ClN5O3/c24-16-8-11-19(26-14-16)28-23(32)21-18(4-3-12-25-21)27-22(31)15-6-9-17(10-7-15)29-13-2-1-5-20(29)30;24-16-8-11-19(26-14-16)27-23(32)18-4-3-12-25-21(18)28-22(31)15-6-9-17(10-7-15)29-13-2-1-5-20(29)30;24-16-6-9-20(26-13-16)28-23(32)18-14-25-11-10-19(18)27-22(31)15-4-7-17(8-5-15)29-12-2-1-3-21(29)30/h3-4,6-12,14H,1-2,5,13H2,(H,27,31)(H,26,28,32);1-14H,(H,25,28,31)(H,26,27,32);4-11,13-14H,1-3,12H2,(H,25,27,31)(H,26,28,32) |
| InChIKey | GOYULILRJBLZSR-UHFFFAOYSA-N |
| XLogP | 12.09 |
| TPSA | 314.56 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 96 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1345.66 |
| LogP ≤ 5 | 12.09 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 16 |