C158H222F8N30O12 — CID 158825983
2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;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-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;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;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline (PubChem CID 158825983) has the molecular formula C158H222F8N30O12 and a molecular weight of 2885.70 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;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-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;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;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline.
| Compound Name | 2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;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-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;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;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline |
|---|---|
| PubChem CID | 158825983 |
| Molecular Formula | C158H222F8N30O12 |
| Molecular Weight | 2885.70 g/mol |
| Exact Mass | 2883.76 |
| IUPAC Name | 2-(difluoromethoxy)-N-propan-2-ylpyridin-3-amine;3-[3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;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-[4-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]piperidin-1-yl]propanenitrile;3-(2-methylpropyl)-1-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyridin-2-one;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;4-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]cyclohexan-1-ol;N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine;2,3,5-trifluoro-N-propan-2-ylaniline |
| SMILES | CC(C)Cc1cccn(-c2ccc(C(=O)N3CCCC3)cn2)c1=O.CC(C)Cc1cccn(C2CCCN(CCC#N)C2)c1=O.CC(C)Cc1cccn(C2CCN(CCC#N)CC2)c1=O.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)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)Nc1cccnc1OC1CCC(O)CC1 |
| InChI | InChI=1S/C19H23N3O2.4C17H25N3O.2C15H22N4O.C14H22N2O2.C9H11F3N2O.C9H10F3N.C9H12F2N2O/c1-14(2)12-15-6-5-11-22(19(15)24)17-8-7-16(13-20-17)18(23)21-9-3-4-10-21;3*1-14(2)12-15-6-3-11-20(17(15)21)16-7-4-9-19(13-16)10-5-8-18;1-14(2)13-15-5-3-10-20(17(15)21)16-6-11-19(12-7-16)9-4-8-18;2*1-12(2)17-14-5-3-9-19(15(14)20)13-6-10-18(11-13)8-4-7-16;1-10(2)16-13-4-3-9-15-14(13)18-12-7-5-11(17)6-8-12;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/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3;3*3,6,11,14,16H,4-5,7,9-10,12-13H2,1-2H3;3,5,10,14,16H,4,6-7,9,11-13H2,1-2H3;2*3,5,9,12-13,17H,4,6,8,10-11H2,1-2H3;3-4,9-12,16-17H,5-8H2,1-2H3;3-6,14H,1-2H3;3-5,13H,1-2H3;3-6,9,13H,1-2H3/t;2*16-;;;2*13-;;;;/m.10..10..../s1 |
| InChIKey | IWLPEOVFQKIBPO-ZONZAWNBSA-N |
| XLogP | 27.53 |
| TPSA | 508.15 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2885.70 |
| LogP ≤ 5 | 27.53 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'} |
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