C182H258F19N35O15 — CID 167591899
bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;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;2,3,5-trifluoro-N-propan-2-ylaniline (PubChem CID 167591899) has the molecular formula C182H258F19N35O15 and a molecular weight of 3537.26 g/mol. Its IUPAC name is bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;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;2,3,5-trifluoro-N-propan-2-ylaniline.
| Compound Name | bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;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;2,3,5-trifluoro-N-propan-2-ylaniline |
|---|---|
| PubChem CID | 167591899 |
| Molecular Formula | C182H258F19N35O15 |
| Molecular Weight | 3537.26 g/mol |
| Exact Mass | 3535.02 |
| IUPAC Name | bis(2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine);2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;2,5-difluoro-N-propan-2-ylaniline;5-fluoro-2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;2-(2-methoxyethoxy)-N-propan-2-ylpyridin-3-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyridin-2-one;3-[(3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-[(3R)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;3-[(3S)-3-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile;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;2,3,5-trifluoro-N-propan-2-ylaniline |
| SMILES | CC(C)Cc1cccn([C@@H]2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn([C@H]2CCCN(CCC#N)C2)c1=O.CC(C)Nc1cc(F)cc(F)c1F.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)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccn([C@H]2CCN(CCC#N)C2)c1=O.CC(C)Nc1cccnc1OC(F)(F)F.CC(C)Nc1cccnc1OC(F)F.CC(C)Nc1cccnc1OC1CN(CC(F)(F)F)C1.COCCOc1ncc(F)cc1NC(C)C.COCCOc1ncccc1NC(C)C.COCCn1cccc(CC(C)C)c1=O |
| InChI | InChI=1S/2C17H25N3O.2C15H22N4O.C13H18F3N3O.C13H18F3N3.C12H19NO2.C11H17FN2O2.2C11H15FN2O.C11H18N2O2.C9H11F3N2O.C9H10F3N.C9H12F2N2O.C9H11F2N/c2*1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;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;1-6(2)14-7-4-3-5-13-8(7)15-9(10,11)12;1-5(2)13-8-4-6(10)3-7(11)9(8)12;1-6(2)13-7-4-3-5-12-8(7)14-9(10)11;1-6(2)12-9-5-7(10)3-4-8(9)11/h2*3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;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;3-6,14H,1-2H3;3-5,13H,1-2H3;3-6,9,13H,1-2H3;3-6,12H,1-2H3/t2*16-;2*13-;;;;;;;;;;;/m1010.........../s1 |
| InChIKey | INTBBYPPVQFBMT-GJJFRISPSA-N |
| XLogP | 36.77 |
| TPSA | 564.38 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 251 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3537.26 |
| LogP ≤ 5 | 36.77 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'} |
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