C276H409F2N45O13 — CID 159902734
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine (PubChem CID 159902734) has the molecular formula C276H409F2N45O13 and a molecular weight of 4603.61 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine.
| Compound Name | 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine |
|---|---|
| PubChem CID | 159902734 |
| Molecular Formula | C276H409F2N45O13 |
| Molecular Weight | 4603.61 g/mol |
| Exact Mass | 4600.27 |
| IUPAC Name | 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3R)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;(3S)-N-methyl-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(5-(oxolan-3-yl)-2-propan-2-ylpyridine);1-(6-propan-2-yl-3-pyridinyl)azetidin-3-ol;1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3R)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;(3S)-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol;2-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine;2-propan-2-yl-6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine;2-propan-2-yl-6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyridine |
| SMILES | CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(C2CCOC2)cn1.CC(C)c1ccc(N2CC(O)C2)cn1.CC(C)c1ccc(N2CCC(F)(F)CC2)cn1.CC(C)c1ccc(N2CCC(O)C2)cn1.CC(C)c1ccc(N2CC[C@@H](O)C2)cn1.CC(C)c1ccc(N2CC[C@H](O)C2)cn1.CC(C)c1cccc(N2CCC(N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@@H](N3CCCC3)C2)n1.CC(C)c1cccc(N2CC[C@H](N3CCCC3)C2)n1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1CCN(c2cccc(C(C)C)n2)C1.CN[C@@H]1CCN(c2cccc(C(C)C)n2)C1.CN[C@H]1CCN(c2cccc(C(C)C)n2)C1 |
| InChI | InChI=1S/3C16H25N3.C15H24N2.C13H18F2N2.3C13H21N3.6C13H18N2O.3C12H18N2O.3C12H17NO.C11H16N2O/c3*1-13(2)15-6-5-7-16(17-15)19-11-8-14(12-19)18-9-3-4-10-18;1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17;3*1-10(2)12-5-4-6-13(15-12)16-8-7-11(9-16)14-3;3*1-9(2)12-5-4-10(7-14-12)11-6-13(16)15(3)8-11;3*1-9(2)12-5-4-10(8-14-12)11-6-7-15(3)13(11)16;3*1-9(2)12-4-3-10(7-13-12)14-6-5-11(15)8-14;3*1-9(2)12-4-3-10(7-13-12)11-5-6-14-8-11;1-8(2)11-4-3-9(5-12-11)13-6-10(14)7-13/h3*5-7,13-14H,3-4,8-12H2,1-2H3;5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3*4-6,10-11,14H,7-9H2,1-3H3;3*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3;3*3-4,7,9,11,15H,5-6,8H2,1-2H3;3*3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,10,14H,6-7H2,1-2H3/t2*14-;;;;2*11-;;;;;;;;2*11-;;;;;/m10...10.......10...../s1 |
| InChIKey | NWEAPJCFDXAFJP-REMYMYCVSA-N |
| XLogP | 49.66 |
| TPSA | 585.85 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 336 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4603.61 |
| LogP ≤ 5 | 49.66 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 52 |