C127H126N28O26S7 — CID 159334427
N-[3-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate (PubChem CID 159334427) has the molecular formula C127H126N28O26S7 and a molecular weight of 2685.04 g/mol. Its IUPAC name is N-[3-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate.
| Compound Name | N-[3-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate |
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| PubChem CID | 159334427 |
| Molecular Formula | C127H126N28O26S7 |
| Molecular Weight | 2685.04 g/mol |
| Exact Mass | 2682.74 |
| IUPAC Name | N-[3-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate |
| SMILES | COC(=O)c1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.Cc1c[nH]c(=O)c(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c1.Cc1cc[nH]c(=O)c1C(=O)NCCCNC(=O)c1cc(-c2cccs2)on1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c(=O)[nH]1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)cn1.Cc1cccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)n1.Cc1ncccc1C(=O)NCCCNC(=O)c1cc(-c2cccs2)on1 |
| InChI | InChI=1S/C19H18N4O5S.3C18H18N4O4S.3C18H18N4O3S/c1-27-19(26)12-5-6-13(22-11-12)17(24)20-7-3-8-21-18(25)14-10-15(28-23-14)16-4-2-9-29-16;1-11-5-6-12(17(24)21-11)16(23)19-7-3-8-20-18(25)13-10-14(26-22-13)15-4-2-9-27-15;1-11-5-8-21-18(25)15(11)17(24)20-7-3-6-19-16(23)12-10-13(26-22-12)14-4-2-9-27-14;1-11-8-12(17(24)21-10-11)16(23)19-5-3-6-20-18(25)13-9-14(26-22-13)15-4-2-7-27-15;1-12-13(5-2-7-19-12)17(23)20-8-4-9-21-18(24)14-11-15(25-22-14)16-6-3-10-26-16;1-12-5-2-6-13(21-12)17(23)19-8-4-9-20-18(24)14-11-15(25-22-14)16-7-3-10-26-16;1-12-5-6-13(11-21-12)17(23)19-7-3-8-20-18(24)14-10-15(25-22-14)16-4-2-9-26-16/h2,4-6,9-11H,3,7-8H2,1H3,(H,20,24)(H,21,25);2,4-6,9-10H,3,7-8H2,1H3,(H,19,23)(H,20,25)(H,21,24);2,4-5,8-10H,3,6-7H2,1H3,(H,19,23)(H,20,24)(H,21,25);2,4,7-10H,3,5-6H2,1H3,(H,19,23)(H,20,25)(H,21,24);2-3,5-7,10-11H,4,8-9H2,1H3,(H,20,23)(H,21,24);2-3,5-7,10-11H,4,8-9H2,1H3,(H,19,23)(H,20,24);2,4-6,9-11H,3,7-8H2,1H3,(H,19,23)(H,20,24) |
| InChIKey | LFISZRIWRRVMQS-UHFFFAOYSA-N |
| XLogP | 15.95 |
| TPSA | 766.05 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2685.04 |
| LogP ≤ 5 | 15.95 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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