C132H163N39O19 — CID 172984251
3-[(2E)-2-[[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[2-[2-(methylamino)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide (PubChem CID 172984251) has the molecular formula C132H163N39O19 and a molecular weight of 2600.01 g/mol. Its IUPAC name is 3-[(2E)-2-[[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[2-[2-(methylamino)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide.
| Compound Name | 3-[(2E)-2-[[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[2-[2-(methylamino)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide |
|---|---|
| PubChem CID | 172984251 |
| Molecular Formula | C132H163N39O19 |
| Molecular Weight | 2600.01 g/mol |
| Exact Mass | 2598.30 |
| IUPAC Name | 3-[(2E)-2-[[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[2-[2-(methylamino)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide |
| SMILES | CNCCOc1cc(N2CCOCC2)cc(/C=N/Nc2cccc(C(N)=O)c2)n1.CNCCOc1nc(/C=N/Nc2cccc(C(N)=O)c2)cc(N2CCOCC2)n1.NC(=O)c1cccc(N/N=C/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1.NC(=O)c1cccc(N/N=C/c2cc(N3CCOCC3)cc(OCCc3ccccn3)n2)c1.NC(=O)c1cccc(N/N=C/c2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)c1.NC(=O)c1cccc(N/N=C/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1 |
| InChI | InChI=1S/C24H26N6O3.C23H25N7O3.C23H31N7O3.C23H30N6O4.C20H26N6O3.C19H25N7O3/c25-24(31)18-4-3-6-20(14-18)29-27-17-21-15-22(30-9-12-32-13-10-30)16-23(28-21)33-11-7-19-5-1-2-8-26-19;24-22(31)17-4-3-6-19(14-17)29-26-16-20-15-21(30-9-12-32-13-10-30)28-23(27-20)33-11-7-18-5-1-2-8-25-18;24-22(31)18-5-4-6-19(15-18)28-25-17-20-16-21(30-10-12-32-13-11-30)27-23(26-20)33-14-9-29-7-2-1-3-8-29;24-23(30)18-2-1-3-19(14-18)27-25-17-20-15-21(29-7-11-32-12-8-29)16-22(26-20)33-13-6-28-4-9-31-10-5-28;1-22-5-8-29-19-13-18(26-6-9-28-10-7-26)12-17(24-19)14-23-25-16-4-2-3-15(11-16)20(21)27;1-21-5-8-29-19-23-16(12-17(24-19)26-6-9-28-10-7-26)13-22-25-15-4-2-3-14(11-15)18(20)27/h1-6,8,14-17,29H,7,9-13H2,(H2,25,31);1-6,8,14-16,29H,7,9-13H2,(H2,24,31);4-6,15-17,28H,1-3,7-14H2,(H2,24,31);1-3,14-17,27H,4-13H2,(H2,24,30);2-4,11-14,22,25H,5-10H2,1H3,(H2,21,27);2-4,11-13,21,25H,5-10H2,1H3,(H2,20,27)/b27-17+;26-16+;2*25-17+;23-14+;22-13+ |
| InChIKey | LWXPBRDLVCMLPX-YSMFDERLSA-N |
| XLogP | 8.77 |
| TPSA | 716.64 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2600.01 |
| LogP ≤ 5 | 8.77 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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