C242H360Cl2N32O11 — CID 159368728
3-tert-butyl-4-chloro-2-methylpyridine;3-tert-butyl-4-chloro-5-methylpyridine;3-tert-butyl-6-cyclopropyl-2-methylpyridine;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-2-ethyl-3-methylpyridine;5-tert-butyl-2-(1-ethynylcyclopropyl)pyridine;3-tert-butyl-2-methoxy-5-methylpyridine;3-tert-butyl-5-methoxy-4-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-6-methoxypyrimidine;3-tert-butyl-5-(2-methylidenepyrrolidin-1-yl)pyridine;3-tert-butyl-5-propan-2-yloxypyridine;4-tert-butyl-6-propan-2-ylpyrimidine;4-tert-butylpyridazine;2,3-dimethoxy-5-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-(5-propan-2-yl-3-pyridinyl)morpholine;4-propan-2-ylpyrimidine;3-propan-2-yl-5-pyrrolidin-1-ylpyridine (PubChem CID 159368728) has the molecular formula C242H360Cl2N32O11 and a molecular weight of 3964.66 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-2-methylpyridine;3-tert-butyl-4-chloro-5-methylpyridine;3-tert-butyl-6-cyclopropyl-2-methylpyridine;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-2-ethyl-3-methylpyridine;5-tert-butyl-2-(1-ethynylcyclopropyl)pyridine;3-tert-butyl-2-methoxy-5-methylpyridine;3-tert-butyl-5-methoxy-4-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-6-methoxypyrimidine;3-tert-butyl-5-(2-methylidenepyrrolidin-1-yl)pyridine;3-tert-butyl-5-propan-2-yloxypyridine;4-tert-butyl-6-propan-2-ylpyrimidine;4-tert-butylpyridazine;2,3-dimethoxy-5-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-(5-propan-2-yl-3-pyridinyl)morpholine;4-propan-2-ylpyrimidine;3-propan-2-yl-5-pyrrolidin-1-ylpyridine.
| Compound Name | 3-tert-butyl-4-chloro-2-methylpyridine;3-tert-butyl-4-chloro-5-methylpyridine;3-tert-butyl-6-cyclopropyl-2-methylpyridine;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-2-ethyl-3-methylpyridine;5-tert-butyl-2-(1-ethynylcyclopropyl)pyridine;3-tert-butyl-2-methoxy-5-methylpyridine;3-tert-butyl-5-methoxy-4-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-6-methoxypyrimidine;3-tert-butyl-5-(2-methylidenepyrrolidin-1-yl)pyridine;3-tert-butyl-5-propan-2-yloxypyridine;4-tert-butyl-6-propan-2-ylpyrimidine;4-tert-butylpyridazine;2,3-dimethoxy-5-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-(5-propan-2-yl-3-pyridinyl)morpholine;4-propan-2-ylpyrimidine;3-propan-2-yl-5-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 159368728 |
| Molecular Formula | C242H360Cl2N32O11 |
| Molecular Weight | 3964.66 g/mol |
| Exact Mass | 3960.80 |
| IUPAC Name | 3-tert-butyl-4-chloro-2-methylpyridine;3-tert-butyl-4-chloro-5-methylpyridine;3-tert-butyl-6-cyclopropyl-2-methylpyridine;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-2-ethyl-3-methylpyridine;5-tert-butyl-2-(1-ethynylcyclopropyl)pyridine;3-tert-butyl-2-methoxy-5-methylpyridine;3-tert-butyl-5-methoxy-4-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-6-methoxypyrimidine;3-tert-butyl-5-(2-methylidenepyrrolidin-1-yl)pyridine;3-tert-butyl-5-propan-2-yloxypyridine;4-tert-butyl-6-propan-2-ylpyrimidine;4-tert-butylpyridazine;2,3-dimethoxy-5-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-(5-propan-2-yl-3-pyridinyl)morpholine;4-propan-2-ylpyrimidine;3-propan-2-yl-5-pyrrolidin-1-ylpyridine |
| SMILES | C#CC1(c2ccc(C(C)(C)C)cn2)CC1.C=C1CCCN1c1cncc(C(C)(C)C)c1.CC(C)(C)c1ccnnc1.CC(C)Oc1cncc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1cncc(N2CCCC2)c1.CC(C)c1cncc(N2CCOCC2)c1.CC(C)c1cnccn1.CCc1ncc(C(C)(C)C)cc1C.CN(C)c1ccc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ncn1.COc1cc(C(C)C)cnc1OC.COc1ccc(C(C)(C)C)cn1.COc1ccncc1C(C)C.COc1cncc(C(C)(C)C)c1.COc1cncc(C(C)(C)C)c1C.COc1ncc(C(C)(C)C)cc1C.COc1ncc(C)cc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1Cl.Cc1nc(C2CC2)ccc1C(C)(C)C.Cc1nccc(Cl)c1C(C)(C)C |
| InChI | InChI=1S/C14H20N2.C14H17N.C13H19N.C12H18N2O.C12H18N2.C12H19NO.C12H19N.2C11H18N2.3C11H17NO.2C10H14ClN.C10H15NO2.2C10H15NO.C9H14N2O.C9H13NO.C8H12N2.C8H11N.2C7H10N2/c1-11-6-5-7-16(11)13-8-12(9-15-10-13)14(2,3)4;1-5-14(8-9-14)12-7-6-11(10-15-12)13(2,3)4;1-9-11(13(2,3)4)7-8-12(14-9)10-5-6-10;1-10(2)11-7-12(9-13-8-11)14-3-5-15-6-4-14;1-10(2)11-7-12(9-13-8-11)14-5-3-4-6-14;1-9(2)14-11-6-10(7-13-8-11)12(3,4)5;1-6-11-9(2)7-10(8-13-11)12(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-11(2,3)9-6-7-10(12-8-9)13(4)5;1-8-9(11(2,3)4)6-12-7-10(8)13-5;1-8-6-9(11(2,3)4)7-12-10(8)13-5;1-8-6-9(11(2,3)4)10(13-5)12-7-8;1-7-5-12-6-8(9(7)11)10(2,3)4;1-7-9(10(2,3)4)8(11)5-6-12-7;1-7(2)8-5-9(12-3)10(13-4)11-6-8;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)7-5-8(12-4)11-6-10-7;1-7(2)8-6-10-5-4-9(8)11-3;1-8(2,3)7-4-5-9-10-6-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7/h8-10H,1,5-7H2,2-4H3;1,6-7,10H,8-9H2,2-4H3;7-8,10H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;6-9H,1-5H3;7-8H,6H2,1-5H3;2*6-8H,1-5H3;3*6-7H,1-5H3;2*5-6H,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3 |
| InChIKey | LJLQCUHAYYPIGT-UHFFFAOYSA-N |
| XLogP | 59.65 |
| TPSA | 475.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 287 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3964.66 |
| LogP ≤ 5 | 59.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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