C135H218N20O3 — CID 159539398
2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-tert-butyl-2-(3-methylpyrrolidin-1-yl)pyridine;5-tert-butyl-3-methyl-2-pyrrolidin-1-ylpyridine;[(2S)-1-(5-tert-butyl-2-pyridinyl)pyrrolidin-2-yl]methanol;N-cyclohexyl-5-propan-2-ylpyridin-2-amine;methane;2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;2-(3-methylazetidin-1-yl)-5-propan-2-ylpyridine;2-(2-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;[(2R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-2-yl]methanol;5-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 159539398) has the molecular formula C135H218N20O3 and a molecular weight of 2169.37 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-tert-butyl-2-(3-methylpyrrolidin-1-yl)pyridine;5-tert-butyl-3-methyl-2-pyrrolidin-1-ylpyridine;[(2S)-1-(5-tert-butyl-2-pyridinyl)pyrrolidin-2-yl]methanol;N-cyclohexyl-5-propan-2-ylpyridin-2-amine;methane;2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;2-(3-methylazetidin-1-yl)-5-propan-2-ylpyridine;2-(2-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;[(2R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-2-yl]methanol;5-propan-2-yl-2-pyrrolidin-1-ylpyridine.
| Compound Name | 2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-tert-butyl-2-(3-methylpyrrolidin-1-yl)pyridine;5-tert-butyl-3-methyl-2-pyrrolidin-1-ylpyridine;[(2S)-1-(5-tert-butyl-2-pyridinyl)pyrrolidin-2-yl]methanol;N-cyclohexyl-5-propan-2-ylpyridin-2-amine;methane;2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;2-(3-methylazetidin-1-yl)-5-propan-2-ylpyridine;2-(2-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;[(2R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-2-yl]methanol;5-propan-2-yl-2-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 159539398 |
| Molecular Formula | C135H218N20O3 |
| Molecular Weight | 2169.37 g/mol |
| Exact Mass | 2167.75 |
| IUPAC Name | 2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-tert-butyl-2-(3-methylpyrrolidin-1-yl)pyridine;5-tert-butyl-3-methyl-2-pyrrolidin-1-ylpyridine;[(2S)-1-(5-tert-butyl-2-pyridinyl)pyrrolidin-2-yl]methanol;N-cyclohexyl-5-propan-2-ylpyridin-2-amine;methane;2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-propan-2-ylpyridine;2-(3-methylazetidin-1-yl)-5-propan-2-ylpyridine;2-(2-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;[(2R)-1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-2-yl]methanol;5-propan-2-yl-2-pyrrolidin-1-ylpyridine |
| SMILES | C.C.C.C.CC(C)(C)c1ccc(N2CCC[C@H]2CO)nc1.CC(C)c1ccc(N2CCC2)nc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccc(N2CCCC2C)nc1.CC(C)c1ccc(N2CCC[C@@H]2CO)nc1.CC(C)c1ccc(NC2CCCCC2)nc1.CC1CCN(c2ccc(C(C)(C)C)cn2)C1.CC1CN(c2ccc(C(C)C)cn2)C1.COC[C@H]1CCCN1c1ccc(C(C)C)cn1.Cc1cc(C(C)(C)C)cnc1N1CCCC1 |
| InChI | InChI=1S/2C14H22N2O.3C14H22N2.C13H20N2O.C13H20N2.2C12H18N2.C11H16N2.4CH4/c1-14(2,3)11-6-7-13(15-9-11)16-8-4-5-12(16)10-17;1-11(2)12-6-7-14(15-9-12)16-8-4-5-13(16)10-17-3;1-11-7-8-16(10-11)13-6-5-12(9-15-13)14(2,3)4;1-11-9-12(14(2,3)4)10-15-13(11)16-7-5-6-8-16;1-11(2)12-8-9-14(15-10-12)16-13-6-4-3-5-7-13;1-10(2)11-5-6-13(14-8-11)15-7-3-4-12(15)9-16;1-10(2)12-6-7-13(14-9-12)15-8-4-5-11(15)3;1-9(2)11-4-5-12(13-6-11)14-7-10(3)8-14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-4-5-11(12-8-10)13-6-3-7-13;;;;/h6-7,9,12,17H,4-5,8,10H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;5-6,9,11H,7-8,10H2,1-4H3;9-10H,5-8H2,1-4H3;8-11,13H,3-7H2,1-2H3,(H,15,16);5-6,8,10,12,16H,3-4,7,9H2,1-2H3;6-7,9-11H,4-5,8H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;4*1H4/t12-;13-;;;;12-;;;;;;;;/m01...1......../s1 |
| InChIKey | MDZUSBJJACXPMO-AINQMFNYSA-N |
| XLogP | 31.41 |
| TPSA | 219.78 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2169.37 |
| LogP ≤ 5 | 31.41 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |