C151H214N22O18 — CID 157165458
azetidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;4-tert-butylpyridine-3-carbaldehyde;4-tert-butylpyridin-3-ol;1-(2-tert-butyl-4-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;(5-tert-butyl-3-pyridinyl)methanol;4-(6-tert-butyl-3-pyridinyl)morpholine;(2-tert-butyl-4-pyridinyl)-pyrrolidin-1-ylmethanone;(3-hydroxyazetidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;methyl 6-tert-butylpyrazine-2-carboxylate;methyl 5-tert-butylpyridine-3-carboxylate;N-methyl-2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyrazin-2-amine;5-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol (PubChem CID 157165458) has the molecular formula C151H214N22O18 and a molecular weight of 2625.51 g/mol. Its IUPAC name is azetidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;4-tert-butylpyridine-3-carbaldehyde;4-tert-butylpyridin-3-ol;1-(2-tert-butyl-4-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;(5-tert-butyl-3-pyridinyl)methanol;4-(6-tert-butyl-3-pyridinyl)morpholine;(2-tert-butyl-4-pyridinyl)-pyrrolidin-1-ylmethanone;(3-hydroxyazetidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;methyl 6-tert-butylpyrazine-2-carboxylate;methyl 5-tert-butylpyridine-3-carboxylate;N-methyl-2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyrazin-2-amine;5-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol.
| Compound Name | azetidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;4-tert-butylpyridine-3-carbaldehyde;4-tert-butylpyridin-3-ol;1-(2-tert-butyl-4-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;(5-tert-butyl-3-pyridinyl)methanol;4-(6-tert-butyl-3-pyridinyl)morpholine;(2-tert-butyl-4-pyridinyl)-pyrrolidin-1-ylmethanone;(3-hydroxyazetidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;methyl 6-tert-butylpyrazine-2-carboxylate;methyl 5-tert-butylpyridine-3-carboxylate;N-methyl-2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyrazin-2-amine;5-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol |
|---|---|
| PubChem CID | 157165458 |
| Molecular Formula | C151H214N22O18 |
| Molecular Weight | 2625.51 g/mol |
| Exact Mass | 2623.65 |
| IUPAC Name | azetidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;4-tert-butylpyridine-3-carbaldehyde;4-tert-butylpyridin-3-ol;1-(2-tert-butyl-4-pyridinyl)-4-hydroxy-3,3-dimethylbutan-1-one;(5-tert-butyl-3-pyridinyl)methanol;4-(6-tert-butyl-3-pyridinyl)morpholine;(2-tert-butyl-4-pyridinyl)-pyrrolidin-1-ylmethanone;(3-hydroxyazetidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;methyl 6-tert-butylpyrazine-2-carboxylate;methyl 5-tert-butylpyridine-3-carboxylate;N-methyl-2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyrazin-2-amine;5-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol |
| SMILES | CC(C)(C)c1cc(C(=O)N2CCCC2)ccn1.CC(C)(C)c1ccc(N2CCOCC2)cn1.CC(C)(C)c1ccncc1C=O.CC(C)(C)c1ccncc1O.CC(C)(C)c1cncc(CO)c1.CC(C)(CO)CC(=O)c1ccnc(C(C)(C)C)c1.CC(C)c1cc(C(=O)N2CC(O)C2)ccn1.CC(C)c1cc(C(=O)N2CCC2)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cncc(C(=O)O)c1.CC(C)c1cncc(N)n1.CNC(=O)c1ccnc(C(C)C)c1.COC(=O)c1cncc(C(C)(C)C)c1.COC(=O)c1cncc(C(C)(C)C)n1 |
| InChI | InChI=1S/C15H23NO2.C14H20N2O.C13H20N2O.C12H16N2O2.C12H16N2O.C11H15NO2.C10H14N2O2.C10H14N2O.C10H15NO.C10H13NO.C9H11NO2.2C9H13NO.C7H11N3/c1-14(2,3)13-8-11(6-7-16-13)12(18)9-15(4,5)10-17;1-14(2,3)12-10-11(6-7-15-12)13(17)16-8-4-5-9-16;1-13(2,3)12-5-4-11(10-14-12)15-6-8-16-9-7-15;1-8(2)11-5-9(3-4-13-11)12(16)14-6-10(15)7-14;1-9(2)11-8-10(4-5-13-11)12(15)14-6-3-7-14;1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;1-10(2,3)8-6-11-5-7(12-8)9(13)14-4;1-7(2)9-6-8(4-5-12-9)10(13)11-3;1-10(2,3)9-4-8(7-12)5-11-6-9;1-10(2,3)9-4-5-11-6-8(9)7-12;1-6(2)7-3-8(9(11)12)5-10-4-7;1-9(2,3)7-4-5-10-6-8(7)11;1-7(2)9-5-8(6-11)3-4-10-9;1-5(2)6-3-9-4-7(8)10-6/h6-8,17H,9-10H2,1-5H3;6-7,10H,4-5,8-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;3-5,8,10,15H,6-7H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;5-7H,1-4H3;5-6H,1-4H3;4-7H,1-3H3,(H,11,13);4-6,12H,7H2,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,11,12);4-6,11H,1-3H3;3-5,7,11H,6H2,1-2H3;3-5H,1-2H3,(H2,8,10) |
| InChIKey | AMVYMTWTMSXRLB-UHFFFAOYSA-N |
| XLogP | 27.10 |
| TPSA | 559.95 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2625.51 |
| LogP ≤ 5 | 27.10 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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