C150H174F19N24O24+ — CID 160636860
N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 160636860) has the molecular formula C150H174F19N24O24+ and a molecular weight of 3058.15 g/mol. Its IUPAC name is N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
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| PubChem CID | 160636860 |
| Molecular Formula | C150H174F19N24O24+ |
| Molecular Weight | 3058.15 g/mol |
| Exact Mass | 3056.28 |
| IUPAC Name | N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
| SMILES | CCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c[n+]1O.COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1.COc1cccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3ccc(F)nc3)CC2)C1 |
| InChI | InChI=1S/C26H31F3N4O4.C25H29F3N4O5.3C25H29F3N4O4.C24H26F4N4O3/c1-2-37-23-7-6-19(13-30-23)25(36)10-8-21(9-11-25)33-15-20(16-33)32-22(34)14-31-24(35)17-4-3-5-18(12-17)26(27,28)29;1-37-22-6-5-18(13-32(22)36)24(35)9-7-20(8-10-24)31-14-19(15-31)30-21(33)12-29-23(34)16-3-2-4-17(11-16)25(26,27)28;1-36-22-7-3-6-20(31-22)24(35)10-8-19(9-11-24)32-14-18(15-32)30-21(33)13-29-23(34)16-4-2-5-17(12-16)25(26,27)28;1-36-20-5-6-21(29-12-20)24(35)9-7-19(8-10-24)32-14-18(15-32)31-22(33)13-30-23(34)16-3-2-4-17(11-16)25(26,27)28;1-36-22-6-5-18(12-29-22)24(35)9-7-20(8-10-24)32-14-19(15-32)31-21(33)13-30-23(34)16-3-2-4-17(11-16)25(26,27)28;25-20-5-4-17(11-29-20)23(35)8-6-19(7-9-23)32-13-18(14-32)31-21(33)12-30-22(34)15-2-1-3-16(10-15)24(26,27)28/h3-7,12-13,20-21,36H,2,8-11,14-16H2,1H3,(H,31,35)(H,32,34);2-6,11,13,19-20,35H,7-10,12,14-15H2,1H3,(H2-,29,30,33,34,36);2-7,12,18-19,35H,8-11,13-15H2,1H3,(H,29,34)(H,30,33);2-6,11-12,18-19,35H,7-10,13-15H2,1H3,(H,30,34)(H,31,33);2-6,11-12,19-20,35H,7-10,13-15H2,1H3,(H,30,34)(H,31,33);1-5,10-11,18-19,35H,6-9,12-14H2,(H,30,34)(H,31,33)/p+1 |
| InChIKey | RIQNJECAEXDCRS-UHFFFAOYSA-O |
| XLogP | 14.47 |
| TPSA | 624.73 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3058.15 |
| LogP ≤ 5 | 14.47 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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