C136H235FN8O10 — CID 159417642
N,4-dimethyl-5-propan-2-ylpyridine-2-carboxamide;1-ethyl-2-fluoro-3-methyl-4-propan-2-ylbenzene;2-ethyl-4-methyl-5-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylmorpholine;3-methyl-4-propan-2-yloxolane;2-(4-methyl-5-propan-2-yl-2-pyridinyl)propan-2-ol;propan-2-ylcyclobutane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;(2S)-2-propan-2-yloxolane;(2R)-2-propan-2-yloxolane;(1-propan-2-ylpiperidin-3-yl)methanol;(3-propan-2-yl-4-pyridinyl)methanol (PubChem CID 159417642) has the molecular formula C136H235FN8O10 and a molecular weight of 2161.42 g/mol. Its IUPAC name is N,4-dimethyl-5-propan-2-ylpyridine-2-carboxamide;1-ethyl-2-fluoro-3-methyl-4-propan-2-ylbenzene;2-ethyl-4-methyl-5-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylmorpholine;3-methyl-4-propan-2-yloxolane;2-(4-methyl-5-propan-2-yl-2-pyridinyl)propan-2-ol;propan-2-ylcyclobutane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;(2S)-2-propan-2-yloxolane;(2R)-2-propan-2-yloxolane;(1-propan-2-ylpiperidin-3-yl)methanol;(3-propan-2-yl-4-pyridinyl)methanol.
| Compound Name | N,4-dimethyl-5-propan-2-ylpyridine-2-carboxamide;1-ethyl-2-fluoro-3-methyl-4-propan-2-ylbenzene;2-ethyl-4-methyl-5-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylmorpholine;3-methyl-4-propan-2-yloxolane;2-(4-methyl-5-propan-2-yl-2-pyridinyl)propan-2-ol;propan-2-ylcyclobutane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;(2S)-2-propan-2-yloxolane;(2R)-2-propan-2-yloxolane;(1-propan-2-ylpiperidin-3-yl)methanol;(3-propan-2-yl-4-pyridinyl)methanol |
|---|---|
| PubChem CID | 159417642 |
| Molecular Formula | C136H235FN8O10 |
| Molecular Weight | 2161.42 g/mol |
| Exact Mass | 2159.81 |
| IUPAC Name | N,4-dimethyl-5-propan-2-ylpyridine-2-carboxamide;1-ethyl-2-fluoro-3-methyl-4-propan-2-ylbenzene;2-ethyl-4-methyl-5-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylmorpholine;3-methyl-4-propan-2-yloxolane;2-(4-methyl-5-propan-2-yl-2-pyridinyl)propan-2-ol;propan-2-ylcyclobutane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;(2S)-2-propan-2-yloxolane;(2R)-2-propan-2-yloxolane;(1-propan-2-ylpiperidin-3-yl)methanol;(3-propan-2-yl-4-pyridinyl)methanol |
| SMILES | CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CN(C)CCO1.CC(C)C1COCC1C.CC(C)N1CCCC(CO)C1.CC(C)N1CCOCC1.CC(C)[C@@H]1CCCO1.CC(C)[C@H]1CCCO1.CC(C)c1cnccc1CO.CCc1cc(C)c(C(C)C)cn1.CCc1ccc(C(C)C)c(C)c1F.CNC(=O)c1cc(C)c(C(C)C)cn1.COc1cccc(C(C)C)c1.Cc1cc(C(C)(C)O)ncc1C(C)C.Cc1ccc(C(C)C)cc1 |
| InChI | InChI=1S/C12H17F.C12H19NO.C11H16N2O.C11H17N.C10H14O.C10H14.C9H13NO.C9H19NO.C8H17NO.C8H16O.C8H16.C7H15NO.2C7H14O.C7H14/c1-5-10-6-7-11(8(2)3)9(4)12(10)13;1-8(2)10-7-13-11(6-9(10)3)12(4,5)14;1-7(2)9-6-13-10(5-8(9)3)11(14)12-4;1-5-10-6-9(4)11(7-12-10)8(2)3;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-10-4-3-8(9)6-11;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-6-9(3)4-5-10-8;1-6(2)8-5-9-4-7(8)3;1-7(2)8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;2*1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7/h6-8H,5H2,1-4H3;6-8,14H,1-5H3;5-7H,1-4H3,(H,12,14);6-8H,5H2,1-4H3;4-8H,1-3H3;4-8H,1-3H3;3-5,7,11H,6H2,1-2H3;8-9,11H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3/t;;;;;;;;;;;;2*7-;/m............10./s1 |
| InChIKey | LPJAMEGHVRMASU-SZISJEISSA-N |
| XLogP | 32.79 |
| TPSA | 206.45 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 155 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2161.42 |
| LogP ≤ 5 | 32.79 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |