C224H349ClF4N46O14 — CID 167703882
3-chloro-N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 167703882) has the molecular formula C224H349ClF4N46O14 and a molecular weight of 4022.01 g/mol. Its IUPAC name is 3-chloro-N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide.
| Compound Name | 3-chloro-N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 167703882 |
| Molecular Formula | C224H349ClF4N46O14 |
| Molecular Weight | 4022.01 g/mol |
| Exact Mass | 4018.76 |
| IUPAC Name | 3-chloro-N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-fluoropyridine-2-carboxamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;4-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;5-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;6-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide |
| SMILES | CC(C)N1CCC(C)(NC(=O)c2ccccn2)CC1.CC(C)N1CCC(C)(NC(=O)c2cccnc2)CC1.CC(C)N1CCC(C)(NC(=O)c2cccnn2)CC1.CC(C)N1CCC(CN(C)C)(NC(=O)c2ncccc2C(F)(F)F)CC1.CC(C)N1CCC(CN(C)C)(NC(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(CN(C)C)(NC(=O)c2ncccc2F)CC1.Cc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)nc1.Cc1cccc(C(=O)NC2(C)CCN(C(C)C)CC2)n1.Cc1cccnc1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1ccnc(C(=O)NC2(C)CCN(C(C)C)CC2)c1.Cc1ccncc1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1cncc(C(=O)NC2(C)CCN(C(C)C)CC2)c1.Cc1ncccc1C(=O)NC1(C)CCN(C(C)C)CC1 |
| InChI | InChI=1S/C18H27F3N4O.C17H27ClN4O.C17H27FN4O.8C16H25N3O.2C15H23N3O.C14H22N4O/c1-13(2)25-10-7-17(8-11-25,12-24(3)4)23-16(26)15-14(18(19,20)21)6-5-9-22-15;2*1-13(2)22-10-7-17(8-11-22,12-21(3)4)20-16(23)15-14(18)6-5-9-19-15;1-12(2)19-9-6-16(4,7-10-19)18-15(20)14-11-17-8-5-13(14)3;1-12(2)19-9-6-16(4,7-10-19)18-15(20)14-11-13(3)5-8-17-14;1-12(2)19-7-5-16(4,6-8-19)18-15(20)14-9-13(3)10-17-11-14;1-12(2)19-9-7-16(4,8-10-19)18-15(20)14-6-5-13(3)17-11-14;1-12(2)19-9-7-16(4,8-10-19)18-15(20)14-6-5-13(3)11-17-14;1-12(2)19-10-7-16(4,8-11-19)18-15(20)14-6-5-9-17-13(14)3;1-12(2)19-10-7-16(4,8-11-19)18-15(20)14-13(3)6-5-9-17-14;1-12(2)19-10-8-16(4,9-11-19)18-15(20)14-7-5-6-13(3)17-14;1-12(2)18-9-6-15(3,7-10-18)17-14(19)13-5-4-8-16-11-13;1-12(2)18-10-7-15(3,8-11-18)17-14(19)13-6-4-5-9-16-13;1-11(2)18-9-6-14(3,7-10-18)16-13(19)12-5-4-8-15-17-12/h5-6,9,13H,7-8,10-12H2,1-4H3,(H,23,26);2*5-6,9,13H,7-8,10-12H2,1-4H3,(H,20,23);2*5,8,11-12H,6-7,9-10H2,1-4H3,(H,18,20);9-12H,5-8H2,1-4H3,(H,18,20);2*5-6,11-12H,7-10H2,1-4H3,(H,18,20);2*5-6,9,12H,7-8,10-11H2,1-4H3,(H,18,20);5-7,12H,8-11H2,1-4H3,(H,18,20);4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,19);4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19);4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,19) |
| InChIKey | YUPOOXKADVVTGC-UHFFFAOYSA-N |
| XLogP | 31.34 |
| TPSA | 655.83 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 289 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4022.01 |
| LogP ≤ 5 | 31.34 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 46 |