C149H200F3N23O17 — CID 161126112
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 161126112) has the molecular formula C149H200F3N23O17 and a molecular weight of 2642.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine.
| Compound Name | 2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 161126112 |
| Molecular Formula | C149H200F3N23O17 |
| Molecular Weight | 2642.38 g/mol |
| Exact Mass | 2640.54 |
| IUPAC Name | 2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine |
| SMILES | CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(=O)NCCCn2ccnc2)cn1.CC(C)c1ccc(C(=O)NCCN2CCOCC2)cn1.CC(C)c1ccc(C(=O)O)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1cccc(C(=O)O)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(NC(=O)C(C)(C)C)n1.CCOC(=O)c1ccc(C(C)C)nc1.COC(=O)c1ccnc(C(C)C)c1.COc1ccnc(C(C)C)c1.Cc1nc(C(C)C)ccc1C#N |
| InChI | InChI=1S/C15H20N4O.C15H23N3O2.C13H20N2O.C12H18N2O.C11H15NO2.C10H12N2.C10H13NO2.C9H10F3N.C9H10N2.3C9H11NO2.2C9H13NO/c1-12(2)14-5-4-13(10-18-14)15(20)17-6-3-8-19-9-7-16-11-19;1-12(2)14-4-3-13(11-17-14)15(19)16-5-6-18-7-9-20-10-8-18;1-9(2)10-7-6-8-11(14-10)15-12(16)13(3,4)5;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-7(2)10-5-4-9(6-11)8(3)12-10;1-7(2)9-6-8(4-5-11-9)10(12)13-3;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-6(2)7-4-3-5-8(10-7)9(11)12;1-7(2)9-6-8(11-3)4-5-10-9;1-7(2)9-5-8(6-11)3-4-10-9/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,17,20);3-4,11-12H,5-10H2,1-2H3,(H,16,19);6-9H,1-5H3,(H,14,15,16);3-4,9-10H,5-8H2,1-2H3;5-8H,4H2,1-3H3;4-5,7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-4,6-7H,1-2H3;3*3-6H,1-2H3,(H,11,12);4-7H,1-3H3;3-5,7,11H,6H2,1-2H3 |
| InChIKey | ULOQRHDQYWQFJE-UHFFFAOYSA-N |
| XLogP | 30.40 |
| TPSA | 552.06 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2642.38 |
| LogP ≤ 5 | 30.40 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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