C184H254F18N32O20 — CID 157069121
N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;N-tert-butyl-5-fluoro-2-methoxypyridin-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;1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one);N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine (PubChem CID 157069121) has the molecular formula C184H254F18N32O20 and a molecular weight of 3576.22 g/mol. Its IUPAC name is N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;N-tert-butyl-5-fluoro-2-methoxypyridin-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;1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one);N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine.
| Compound Name | N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;N-tert-butyl-5-fluoro-2-methoxypyridin-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;1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one);N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine |
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| PubChem CID | 157069121 |
| Molecular Formula | C184H254F18N32O20 |
| Molecular Weight | 3576.22 g/mol |
| Exact Mass | 3573.96 |
| IUPAC Name | N-tert-butyl-2-(difluoromethoxy)pyridin-3-amine;N-tert-butyl-5-fluoro-2-methoxypyridin-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;1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;2-methoxy-N-propan-2-ylpyridin-3-amine;bis(1-(5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one);N-propan-2-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine;N-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridin-3-amine;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine |
| SMILES | CC(C)(C)Nc1cccnc1OC(F)F.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.CC(C)Nc1cccnc1OC(F)(F)F.CC(C)Nc1cccnc1OC1CN(CC(F)(F)F)C1.COCCOc1ncc(F)cc1NC(C)C.COCCOc1ncccc1NC(C)C.COCCn1cccc(CC(C)C)c1=O.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1ccc(-n2cccc(CC(C)C)c2=O)nc1.COc1cnc(-n2cccc(CC(C)C)c2=O)c(F)c1.COc1ncc(F)cc1NC(C)(C)C.COc1ncccc1NC(C)(C)C.COc1ncccc1NC(C)C |
| InChI | InChI=1S/C15H17FN2O2.2C15H18N2O2.C13H18F3N3O.C13H18F3N3.C12H19NO2.C11H17FN2O2.2C11H15FN2O.C11H18N2O2.C10H14F2N2O.C10H15FN2O.C10H16N2O.C9H11F3N2O.C9H11F2N.C9H14N2O/c1-10(2)7-11-5-4-6-18(15(11)19)14-13(16)8-12(20-3)9-17-14;2*1-11(2)9-12-5-4-8-17(15(12)18)14-7-6-13(19-3)10-16-14;1-9(2)18-11-4-3-5-17-12(11)20-10-6-19(7-10)8-13(14,15)16;1-9(2)17-10-7-11(13(14,15)16)18-12(8-10)19-5-3-4-6-19;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;1-9(2)13-10-5-4-6-12-11(10)15-8-7-14-3;1-10(2,3)14-7-5-4-6-13-8(7)15-9(11)12;1-10(2,3)13-8-5-7(11)6-12-9(8)14-4;1-10(2,3)12-8-6-5-7-11-9(8)13-4;1-6(2)14-7-4-3-5-13-8(7)15-9(10,11)12;1-6(2)12-9-5-7(10)3-4-8(9)11;1-7(2)11-8-5-4-6-10-9(8)12-3/h4-6,8-10H,7H2,1-3H3;2*4-8,10-11H,9H2,1-3H3;3-5,9-10,18H,6-8H2,1-2H3;7-9H,3-6H2,1-2H3,(H,17,18);4-6,10H,7-9H2,1-3H3;6-8,14H,4-5H2,1-3H3;2*5-7,9,14H,3-4H2,1-2H3;4-6,9,13H,7-8H2,1-3H3;4-6,9,14H,1-3H3;5-6,13H,1-4H3;5-7,12H,1-4H3;3-6,14H,1-2H3;3-6,12H,1-2H3;4-7,11H,1-3H3 |
| InChIKey | ACFISKHRYIOPKC-UHFFFAOYSA-N |
| XLogP | 39.49 |
| TPSA | 566.98 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 254 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3576.22 |
| LogP ≤ 5 | 39.49 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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