C110H166ClF4N21O9 — CID 159350615
3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-ethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159350615) has the molecular formula C110H166ClF4N21O9 and a molecular weight of 2038.12 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-ethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | 3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-ethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159350615 |
| Molecular Formula | C110H166ClF4N21O9 |
| Molecular Weight | 2038.12 g/mol |
| Exact Mass | 2036.28 |
| IUPAC Name | 3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-ethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)N1CCC(C)(NC(=O)c2cccnc2)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2C(F)(F)F)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2F)CC1.CCc1cccc(C(=O)NC2(C)CCN(C(C)C)CC2)n1.COc1cccc(C(=O)NC2(C)CCN(C(C)C)CC2)n1.COc1cccnc1C(=O)NC1(C)CCN(C(C)C)CC1 |
| InChI | InChI=1S/C17H27N3O.C16H22F3N3O.2C16H25N3O2.C15H22ClN3O.C15H22FN3O.C15H23N3O/c1-5-14-7-6-8-15(18-14)16(21)19-17(4)9-11-20(12-10-17)13(2)3;1-11(2)22-9-6-15(3,7-10-22)21-14(23)13-12(16(17,18)19)5-4-8-20-13;1-12(2)19-10-7-16(3,8-11-19)18-15(20)14-13(21-4)6-5-9-17-14;1-12(2)19-10-8-16(3,9-11-19)18-15(20)13-6-5-7-14(17-13)21-4;2*1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-12(2)18-9-6-15(3,7-10-18)17-14(19)13-5-4-8-16-11-13/h6-8,13H,5,9-12H2,1-4H3,(H,19,21);4-5,8,11H,6-7,9-10H2,1-3H3,(H,21,23);5-6,9,12H,7-8,10-11H2,1-4H3,(H,18,20);5-7,12H,8-11H2,1-4H3,(H,18,20);2*4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,19) |
| InChIKey | LHGWSOPVNFXLGX-UHFFFAOYSA-N |
| XLogP | 16.91 |
| TPSA | 335.07 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2038.12 |
| LogP ≤ 5 | 16.91 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |