C178H258N20O22 — CID 161491246
1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-(2-hydroxy-2-methylpropyl)pyridin-2-one;6-tert-butyl-3-methoxy-1H-pyridin-2-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-(oxetan-3-yl)pyridin-2-one;5-tert-butylpiperidin-2-one;5-tert-butyl-1H-pyrazin-2-one;3-tert-butyl-1H-pyridazin-6-one;3-tert-butylpyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one (PubChem CID 161491246) has the molecular formula C178H258N20O22 and a molecular weight of 3030.14 g/mol. Its IUPAC name is 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-(2-hydroxy-2-methylpropyl)pyridin-2-one;6-tert-butyl-3-methoxy-1H-pyridin-2-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-(oxetan-3-yl)pyridin-2-one;5-tert-butylpiperidin-2-one;5-tert-butyl-1H-pyrazin-2-one;3-tert-butyl-1H-pyridazin-6-one;3-tert-butylpyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one.
| Compound Name | 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-(2-hydroxy-2-methylpropyl)pyridin-2-one;6-tert-butyl-3-methoxy-1H-pyridin-2-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-(oxetan-3-yl)pyridin-2-one;5-tert-butylpiperidin-2-one;5-tert-butyl-1H-pyrazin-2-one;3-tert-butyl-1H-pyridazin-6-one;3-tert-butylpyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one |
|---|---|
| PubChem CID | 161491246 |
| Molecular Formula | C178H258N20O22 |
| Molecular Weight | 3030.14 g/mol |
| Exact Mass | 3027.97 |
| IUPAC Name | 1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-(2-hydroxy-2-methylpropyl)pyridin-2-one;6-tert-butyl-3-methoxy-1H-pyridin-2-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-(oxetan-3-yl)pyridin-2-one;5-tert-butylpiperidin-2-one;5-tert-butyl-1H-pyrazin-2-one;3-tert-butyl-1H-pyridazin-6-one;3-tert-butylpyridine;6-tert-butylpyridine-2-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyridin-3-ol;6-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;6-tert-butyl-1H-pyridin-2-one |
| SMILES | CC(C)(C)C1CCC(=O)NC1.CC(C)(C)c1c[nH]c(=O)cn1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc(=O)n(C2COC2)c1.CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.CC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(C(=O)O)n1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncc(O)c1.CC(C)(O)Cn1cc(C(C)(C)C)ccc1=O.COc1ccc(C(C)(C)C)[nH]c1=O.Cn1ccc(C(C)(C)C)cc1=O |
| InChI | InChI=1S/C16H19NO.C13H21NO2.C12H17NO2.C10H15NO2.2C10H13NO2.C10H15NO.4C9H13NO.C9H17NO.3C9H13NO.C9H13N.2C8H12N2O/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-12(2,3)10-6-7-11(15)14(8-10)9-13(4,5)16;1-12(2,3)9-4-5-11(14)13(6-9)10-7-15-8-10;1-10(2,3)8-6-5-7(13-4)9(12)11-8;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)8-6-4-5-7(11-8)9(12)13;1-10(2,3)8-5-6-11(4)9(12)7-8;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-7(11)6-10-8;2*1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)7-5-4-6-8(11)10-7;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-10-7(11)5-9-6;1-8(2,3)6-4-5-7(11)10-9-6/h4-10,12H,11H2,1-3H3;6-8,16H,9H2,1-5H3;4-6,10H,7-8H2,1-3H3;5-6H,1-4H3,(H,11,12);2*4-6H,1-3H3,(H,12,13);5-7H,1-4H3;4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11);4-6,11H,1-3H3;7H,4-6H2,1-3H3,(H,10,11);3*4-6H,1-3H3,(H,10,11);4-7H,1-3H3;2*4-5H,1-3H3,(H,10,11) |
| InChIKey | WFQGAKIXNZOFPZ-UHFFFAOYSA-N |
| XLogP | 32.95 |
| TPSA | 623.96 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3030.14 |
| LogP ≤ 5 | 32.95 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 31 |