C135H142N24O22S4 — CID 160665946
N-hydroxy-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(naphthalene-2-carbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 160665946) has the molecular formula C135H142N24O22S4 and a molecular weight of 2581.03 g/mol. Its IUPAC name is N-hydroxy-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(naphthalene-2-carbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carboxamide.
| Compound Name | N-hydroxy-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(naphthalene-2-carbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160665946 |
| Molecular Formula | C135H142N24O22S4 |
| Molecular Weight | 2581.03 g/mol |
| Exact Mass | 2578.96 |
| IUPAC Name | N-hydroxy-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(naphthalene-2-carbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyridine-3-carboxamide;N-hydroxy-6-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carboxamide |
| SMILES | O=C(NO)c1ccc(NC2CCCN(C(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1ccc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1ccc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1ccc(NC2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1ccc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 |
| InChI | InChI=1S/C24H26N4O4S.C23H24N4O4S.C23H24N4O3.C22H24N4O4S.C22H22N4O3.C21H22N4O4S/c29-24(27-30)20-10-13-23(25-17-20)26-21-7-4-15-28(16-14-21)33(31,32)22-11-8-19(9-12-22)18-5-2-1-3-6-18;28-23(26-29)19-8-11-22(24-16-19)25-20-12-14-27(15-13-20)32(30,31)21-9-6-18(7-10-21)17-4-2-1-3-5-17;28-22(26-30)19-9-10-21(24-15-19)25-20-6-3-12-27(13-11-20)23(29)18-8-7-16-4-1-2-5-17(16)14-18;27-22(25-28)18-8-10-21(23-15-18)24-19-6-3-12-26(13-11-19)31(29,30)20-9-7-16-4-1-2-5-17(16)14-20;27-21(25-29)18-7-8-20(23-14-18)24-19-9-11-26(12-10-19)22(28)17-6-5-15-3-1-2-4-16(15)13-17;26-21(24-27)17-6-8-20(22-14-17)23-18-9-11-25(12-10-18)30(28,29)19-7-5-15-3-1-2-4-16(15)13-19/h1-3,5-6,8-13,17,21,30H,4,7,14-16H2,(H,25,26)(H,27,29);1-11,16,20,29H,12-15H2,(H,24,25)(H,26,28);1-2,4-5,7-10,14-15,20,30H,3,6,11-13H2,(H,24,25)(H,26,28);1-2,4-5,7-10,14-15,19,28H,3,6,11-13H2,(H,23,24)(H,25,27);1-8,13-14,19,29H,9-12H2,(H,23,24)(H,25,27);1-8,13-14,18,27H,9-12H2,(H,22,23)(H,24,26) |
| InChIKey | RMHKFGFAQFJPJD-UHFFFAOYSA-N |
| XLogP | 18.81 |
| TPSA | 635.64 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2581.03 |
| LogP ≤ 5 | 18.81 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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