C137H196N22O7 — CID 158628488
2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol (PubChem CID 158628488) has the molecular formula C137H196N22O7 and a molecular weight of 2263.22 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol.
| Compound Name | 2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol |
|---|---|
| PubChem CID | 158628488 |
| Molecular Formula | C137H196N22O7 |
| Molecular Weight | 2263.22 g/mol |
| Exact Mass | 2261.57 |
| IUPAC Name | 2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol |
| SMILES | CC(C)c1cc(=O)cc[nH]1.CC(C)c1cc(C#N)ccn1.CC(C)c1cc(N2CCN(CCO)CC2)ccn1.CC(C)c1cc(N2CCOCC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(N2CCN(CCO)CC2)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1 |
| InChI | InChI=1S/2C14H23N3O.2C12H18N2O.2C9H10N2.C9H13NO.2C9H13N.2C8H11NO.3C8H11N/c1-12(2)14-11-13(3-4-15-14)17-7-5-16(6-8-17)9-10-18;1-12(2)14-4-3-13(11-15-14)17-7-5-16(6-8-17)9-10-18;1-10(2)12-9-11(3-4-13-12)14-5-7-15-8-6-14;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-7(10)3-4-9-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h2*3-4,11-12,18H,5-10H2,1-2H3;2*3-4,9-10H,5-8H2,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6,10H,1-2H3;3*3-7H,1-2H3 |
| InChIKey | HYWWAWFXBPORDD-UHFFFAOYSA-N |
| XLogP | 28.14 |
| TPSA | 355.83 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2263.22 |
| LogP ≤ 5 | 28.14 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |