C122H176F9N21O13 — CID 161493118
N-tert-butyl-2-(2-methoxyethoxy)pyridin-3-amine;N-tert-butyl-2-methoxypyridin-3-amine;bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;5-fluoro-2-methoxy-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 161493118) has the molecular formula C122H176F9N21O13 and a molecular weight of 2315.87 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methoxyethoxy)pyridin-3-amine;N-tert-butyl-2-methoxypyridin-3-amine;bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;5-fluoro-2-methoxy-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine.
| Compound Name | N-tert-butyl-2-(2-methoxyethoxy)pyridin-3-amine;N-tert-butyl-2-methoxypyridin-3-amine;bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;5-fluoro-2-methoxy-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine |
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| PubChem CID | 161493118 |
| Molecular Formula | C122H176F9N21O13 |
| Molecular Weight | 2315.87 g/mol |
| Exact Mass | 2314.36 |
| IUPAC Name | N-tert-butyl-2-(2-methoxyethoxy)pyridin-3-amine;N-tert-butyl-2-methoxypyridin-3-amine;bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;5-fluoro-2-methoxy-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine |
| SMILES | CC(C)Nc1cc(F)ccc1F.CC(C)Nc1cc(F)cnc1OC1CC1.CC(C)Nc1cc(F)cnc1OC1CC1.CC(C)Nc1cc(N2CCCC2)nc(C(F)(F)F)c1.COCCOc1ncc(F)cc1NC(C)C.COCCOc1ncccc1NC(C)(C)C.COCCn1cccc(CC(C)C)c1=O.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1ncc(F)cc1NC(C)C.COc1ncccc1NC(C)(C)C.COc1ncccc1NC(C)C |
| InChI | InChI=1S/C15H18N2O2.C13H18F3N3.C12H20N2O2.C12H19NO2.C11H17FN2O2.2C11H15FN2O.C10H16N2O.C9H11F2N.C9H13FN2O.C9H14N2O/c1-11(2)9-12-5-4-8-17(15(12)18)14-7-6-13(19-3)10-16-14;1-9(2)17-10-7-11(13(14,15)16)18-12(8-10)19-5-3-4-6-19;1-12(2,3)14-10-6-5-7-13-11(10)16-9-8-15-4;1-10(2)9-11-5-4-6-13(12(11)14)7-8-15-3;1-8(2)14-10-6-9(12)7-13-11(10)16-5-4-15-3;2*1-7(2)14-10-5-8(12)6-13-11(10)15-9-3-4-9;1-10(2,3)12-8-6-5-7-11-9(8)13-4;1-6(2)12-9-5-7(10)3-4-8(9)11;1-6(2)12-8-4-7(10)5-11-9(8)13-3;1-7(2)11-8-5-4-6-10-9(8)12-3/h4-8,10-11H,9H2,1-3H3;7-9H,3-6H2,1-2H3,(H,17,18);5-7,14H,8-9H2,1-4H3;4-6,10H,7-9H2,1-3H3;6-8,14H,4-5H2,1-3H3;2*5-7,9,14H,3-4H2,1-2H3;5-7,12H,1-4H3;3-6,12H,1-2H3;4-6,12H,1-3H3;4-7,11H,1-3H3 |
| InChIKey | WFVURXGNDAOXGW-UHFFFAOYSA-N |
| XLogP | 26.25 |
| TPSA | 373.05 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2315.87 |
| LogP ≤ 5 | 26.25 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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