C139H185F3N20O17 — CID 161234473
(2S)-N-(2-cyclohexylpropan-2-yl)morpholine-2-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-1,4-oxazepane-6-carboxamide;N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]oxepane-3-carboxamide;N-[(1S)-1-naphthalen-1-ylethyl]-1,4-oxazepane-6-carboxamide;(2S)-N-(2-naphthalen-1-ylpropan-2-yl)oxane-2-carboxamide;N-(2-naphthalen-1-ylpropan-2-yl)-1,4-oxazepane-6-carboxamide;(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide (PubChem CID 161234473) has the molecular formula C139H185F3N20O17 and a molecular weight of 2465.13 g/mol. Its IUPAC name is (2S)-N-(2-cyclohexylpropan-2-yl)morpholine-2-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-1,4-oxazepane-6-carboxamide;N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]oxepane-3-carboxamide;N-[(1S)-1-naphthalen-1-ylethyl]-1,4-oxazepane-6-carboxamide;(2S)-N-(2-naphthalen-1-ylpropan-2-yl)oxane-2-carboxamide;N-(2-naphthalen-1-ylpropan-2-yl)-1,4-oxazepane-6-carboxamide;(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide.
| Compound Name | (2S)-N-(2-cyclohexylpropan-2-yl)morpholine-2-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-1,4-oxazepane-6-carboxamide;N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]oxepane-3-carboxamide;N-[(1S)-1-naphthalen-1-ylethyl]-1,4-oxazepane-6-carboxamide;(2S)-N-(2-naphthalen-1-ylpropan-2-yl)oxane-2-carboxamide;N-(2-naphthalen-1-ylpropan-2-yl)-1,4-oxazepane-6-carboxamide;(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide |
|---|---|
| PubChem CID | 161234473 |
| Molecular Formula | C139H185F3N20O17 |
| Molecular Weight | 2465.13 g/mol |
| Exact Mass | 2463.42 |
| IUPAC Name | (2S)-N-(2-cyclohexylpropan-2-yl)morpholine-2-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-1,4-oxazepane-6-carboxamide;N-[2-(6-methyl-1,7-naphthyridin-8-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]oxepane-3-carboxamide;N-[(1S)-1-naphthalen-1-ylethyl]-1,4-oxazepane-6-carboxamide;(2S)-N-(2-naphthalen-1-ylpropan-2-yl)oxane-2-carboxamide;N-(2-naphthalen-1-ylpropan-2-yl)-1,4-oxazepane-6-carboxamide;(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide |
| SMILES | CC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1CCCCOC1.CC(C)(NC(=O)C1CNCCOC1)c1cccc2ccccc12.CC(C)(NC(=O)[C@@H]1CCCCO1)c1cccc2ccccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)C1CCCCC1.CC(C)(NC(=O)[C@H]1CNCCO1)c1ccnc2ccccc12.C[C@H](NC(=O)C1CNCCOC1)c1cccc2ccccc12.Cc1cc2cccnc2c(C(C)(C)NC(=O)C2CNCCOC2)n1.Cc1cccn2c(C3(NC(=O)C4CNCCOC4)CC3)ncc12 |
| InChI | InChI=1S/C19H24N2O2.C19H23NO2.C18H24N4O2.C18H22N2O2.C17H23F3N2O3.C17H22N4O2.C17H21N3O2.C14H26N2O2/c1-19(2,21-18(22)15-12-20-10-11-23-13-15)17-9-5-7-14-6-3-4-8-16(14)17;1-19(2,20-18(21)17-12-5-6-13-22-17)16-11-7-9-14-8-3-4-10-15(14)16;1-12-9-13-5-4-6-20-15(13)16(21-12)18(2,3)22-17(23)14-10-19-7-8-24-11-14;1-13(20-18(21)15-11-19-9-10-22-12-15)16-8-4-6-14-5-2-3-7-17(14)16;1-16(2,22-15(23)12-5-3-4-8-24-10-12)11-25-14-9-21-7-6-13(14)17(18,19)20;1-12-3-2-7-21-14(12)10-19-16(21)17(4-5-17)20-15(22)13-9-18-6-8-23-11-13;1-17(2,20-16(21)15-11-18-9-10-22-15)13-7-8-19-14-6-4-3-5-12(13)14;1-14(2,11-6-4-3-5-7-11)16-13(17)12-10-15-8-9-18-12/h3-9,15,20H,10-13H2,1-2H3,(H,21,22);3-4,7-11,17H,5-6,12-13H2,1-2H3,(H,20,21);4-6,9,14,19H,7-8,10-11H2,1-3H3,(H,22,23);2-8,13,15,19H,9-12H2,1H3,(H,20,21);6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,23);2-3,7,10,13,18H,4-6,8-9,11H2,1H3,(H,20,22);3-8,15,18H,9-11H2,1-2H3,(H,20,21);11-12,15H,3-10H2,1-2H3,(H,16,17)/t;17-;;13-,15?;;;15-;12-/m.0.0..10/s1 |
| InChIKey | UZENRZOKZVFVES-CIZJILOESA-N |
| XLogP | 17.16 |
| TPSA | 456.91 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2465.13 |
| LogP ≤ 5 | 17.16 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 29 |