C208H324Cl5F3N46O16 — CID 167545127
N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 167545127) has the molecular formula C208H324Cl5F3N46O16 and a molecular weight of 3959.44 g/mol. Its IUPAC name is N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.
| Compound Name | N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 167545127 |
| Molecular Formula | C208H324Cl5F3N46O16 |
| Molecular Weight | 3959.44 g/mol |
| Exact Mass | 3954.43 |
| IUPAC Name | N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-chloropyridine-2-carboxamide;N-(1-tert-butyl-3-methylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;N-(1-tert-butylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide;3-chloro-5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide;3-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)pyridine-2-carboxamide;3,5-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide;1,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide;6-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide |
| SMILES | CC(C)(C)N1CCC(NC(=O)c2ncccc2F)C1.CC(C)N1CCC(C)(N(C)C(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ccccn2)CC1.CC(C)N1CCC(C)(NC(=O)c2ccn(C)n2)CC1.CC(C)N1CCC(C)(NC(=O)c2cnn(C(C)C)c2)CC1.CC(C)N1CCC(C)(NC(=O)c2ncc(F)cc2Cl)CC1.CC(C)N1CCC(C)(NC(=O)c2ncccc2Cl)CC1.CC(C)N1CCC(NC(=O)c2ncccc2Cl)C1.CC1(NC(=O)c2ncccc2Cl)CCN(C(C)(C)C)C1.CC1(NC(=O)c2ncccc2F)CCN(C(C)(C)C)C1.COc1ccc(C(=O)NC2(C)CCN(C(C)C)CC2)cn1.Cc1nc(C(=O)NC2(C)CCN(C(C)C)CC2)co1.Cc1ncn(C)c1C(=O)NC1(C)CCN(C(C)C)CC1.Cc1nn(C)cc1C(=O)NC1(C)CCN(C(C)C)CC1 |
| InChI | InChI=1S/C16H24ClN3O.C16H28N4O.C16H25N3O2.C15H21ClFN3O.2C15H22ClN3O.C15H22FN3O.2C15H26N4O.C15H23N3O.C14H20FN3O.C14H24N4O.C14H23N3O2.C13H18ClN3O/c1-12(2)20-10-7-16(3,8-11-20)19(4)15(21)14-13(17)6-5-9-18-14;1-12(2)19-8-6-16(5,7-9-19)18-15(21)14-10-17-20(11-14)13(3)4;1-12(2)19-9-7-16(3,8-10-19)18-15(20)13-5-6-14(21-4)17-11-13;1-10(2)20-6-4-15(3,5-7-20)19-14(21)13-12(16)8-11(17)9-18-13;1-14(2,3)19-9-7-15(4,10-19)18-13(20)12-11(16)6-5-8-17-12;1-11(2)19-9-6-15(3,7-10-19)18-14(20)13-12(16)5-4-8-17-13;1-14(2,3)19-9-7-15(4,10-19)18-13(20)12-11(16)6-5-8-17-12;1-11(2)19-8-6-15(4,7-9-19)17-14(20)13-12(3)16-10-18(13)5;1-11(2)19-8-6-15(4,7-9-19)16-14(20)13-10-18(5)17-12(13)3;1-12(2)18-10-7-15(3,8-11-18)17-14(19)13-6-4-5-9-16-13;1-14(2,3)18-8-6-10(9-18)17-13(19)12-11(15)5-4-7-16-12;1-11(2)18-9-6-14(3,7-10-18)15-13(19)12-5-8-17(4)16-12;1-10(2)17-7-5-14(4,6-8-17)16-13(18)12-9-19-11(3)15-12;1-9(2)17-7-5-10(8-17)16-13(18)12-11(14)4-3-6-15-12/h5-6,9,12H,7-8,10-11H2,1-4H3;10-13H,6-9H2,1-5H3,(H,18,21);5-6,11-12H,7-10H2,1-4H3,(H,18,20);8-10H,4-7H2,1-3H3,(H,19,21);5-6,8H,7,9-10H2,1-4H3,(H,18,20);4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20);5-6,8H,7,9-10H2,1-4H3,(H,18,20);10-11H,6-9H2,1-5H3,(H,17,20);10-11H,6-9H2,1-5H3,(H,16,20);4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19);4-5,7,10H,6,8-9H2,1-3H3,(H,17,19);5,8,11H,6-7,9-10H2,1-4H3,(H,15,19);9-10H,5-8H2,1-4H3,(H,16,18);3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18) |
| InChIKey | BRPMZCWMTHYMPH-UHFFFAOYSA-N |
| XLogP | 30.82 |
| TPSA | 666.52 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 278 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3959.44 |
| LogP ≤ 5 | 30.82 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 48 |