C116H86N24O18 — CID 159916631
2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate (PubChem CID 159916631) has the molecular formula C116H86N24O18 and a molecular weight of 2104.11 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate.
| Compound Name | 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate |
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| PubChem CID | 159916631 |
| Molecular Formula | C116H86N24O18 |
| Molecular Weight | 2104.11 g/mol |
| Exact Mass | 2102.66 |
| IUPAC Name | 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate |
| SMILES | COC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1cnccc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cncnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12 |
| InChI | InChI=1S/2C24H18N4O4.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-12-7-13-25-22(18)28-27-20-17-11-6-5-8-15(17)14-19(21(20)29)23(30)26-16-9-3-2-4-10-16;1-32-24(31)19-14-25-12-11-20(19)27-28-21-17-10-6-5-7-15(17)13-18(22(21)29)23(30)26-16-8-3-2-4-9-16;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-19-16-10-5-4-7-14(16)13-18(20(19)29)23(31)26-15-8-2-1-3-9-15;23-20(30)17-11-24-12-25-21(17)28-27-18-15-9-5-4-6-13(15)10-16(19(18)29)22(31)26-14-7-2-1-3-8-14/h2*2-14,29H,1H3,(H,26,30);2-13,29H,1H3,(H,26,30);1-13,29H,(H2,24,30)(H,26,31);1-12,29H,(H2,23,30)(H,26,31)/b5*28-27+ |
| InChIKey | NXWCEASFMXQMDE-AJODKAFZSA-N |
| XLogP | 24.39 |
| TPSA | 625.56 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2104.11 |
| LogP ≤ 5 | 24.39 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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