C220H336ClF8N45O20 — CID 167703569
3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-difluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4,6-dimethoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;3,6-dimethyl-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;5-fluoro-2-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-fluoro-6-methyl-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;4-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167703569) has the molecular formula C220H336ClF8N45O20 and a molecular weight of 4118.84 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-difluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4,6-dimethoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;3,6-dimethyl-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;5-fluoro-2-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-fluoro-6-methyl-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;4-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-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;3,5-difluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4,6-dimethoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;3,6-dimethyl-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;5-fluoro-2-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-fluoro-6-methyl-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;4-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 167703569 |
| Molecular Formula | C220H336ClF8N45O20 |
| Molecular Weight | 4118.84 g/mol |
| Exact Mass | 4115.62 |
| IUPAC Name | 3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3,5-difluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4,6-dimethoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;3,6-dimethyl-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;5-fluoro-2-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-fluoro-6-methyl-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;4-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrimidine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)N1CCC(C)(NC(=O)c2ncc(F)cc2F)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.CC(C)N1CCC(C)(NC(=O)c2ncccn2)CC1.CCc1cccc(C(=O)NC2(C)CCN(C(C)C)CC2)n1.COc1cc(OC)nc(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.COc1ccnc(C(=O)NC2(C)CCN(C(C)C)CC2)n1.COc1ncc(F)cc1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1cc(C(=O)NC2(C)CCN(C(C)C)CC2)ccn1.Cc1ccc(C)c(C(=O)NC2(C)CCN(C(C)C)CC2)n1.Cc1ccc(F)c(C(=O)NC2(C)CCN(C(C)C)CC2)n1 |
| InChI | InChI=1S/2C17H27N3O.C16H22F3N3O.C16H24FN3O2.C16H24FN3O.C16H26N4O3.2C16H25N3O2.C16H25N3O.C15H22ClN3O.C15H21F2N3O.C15H22FN3O.C15H24N4O2.C14H22N4O/c1-12(2)20-10-8-17(5,9-11-20)19-16(21)15-13(3)6-7-14(4)18-15;1-5-14-7-6-8-15(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;1-11(2)20-7-5-16(3,6-8-20)19-14(21)13-9-12(17)10-18-15(13)22-4;1-11(2)20-9-7-16(4,8-10-20)19-15(21)14-13(17)6-5-12(3)18-14;1-11(2)20-8-6-16(3,7-9-20)19-15(21)14-17-12(22-4)10-13(18-14)23-5;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;1-12(2)19-9-6-16(4,7-10-19)18-15(20)14-5-8-17-13(3)11-14;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-10(2)20-6-4-15(3,5-7-20)19-14(21)13-12(17)8-11(16)9-18-13;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-16-8-5-12(17-13)21-4;1-11(2)18-9-5-14(3,6-10-18)17-13(19)12-15-7-4-8-16-12/h6-7,12H,8-11H2,1-5H3,(H,19,21);6-8,13H,5,9-12H2,1-4H3,(H,19,21);4-5,8,11H,6-7,9-10H2,1-3H3,(H,21,23);9-11H,5-8H2,1-4H3,(H,19,21);5-6,11H,7-10H2,1-4H3,(H,19,21);10-11H,6-9H2,1-5H3,(H,19,21);5-6,9,12H,7-8,10-11H2,1-4H3,(H,18,20);5-7,12H,8-11H2,1-4H3,(H,18,20);5,8,11-12H,6-7,9-10H2,1-4H3,(H,18,20);4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);8-10H,4-7H2,1-3H3,(H,19,21);4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);5,8,11H,6-7,9-10H2,1-4H3,(H,18,20);4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,19) |
| InChIKey | YTKISVAXHQACAV-UHFFFAOYSA-N |
| XLogP | 31.44 |
| TPSA | 727.27 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 294 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4118.84 |
| LogP ≤ 5 | 31.44 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 51 |