C100H76Cl5F7N18O7S — CID 158441301
N-(6-chloro-3-pyridinyl)benzamide;N-(6-chloro-3-pyridinyl)-1-benzothiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-ethyl-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;3,4-difluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide;5-fluoro-N-(6-methyl-3-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 158441301) has the molecular formula C100H76Cl5F7N18O7S and a molecular weight of 1984.14 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)benzamide;N-(6-chloro-3-pyridinyl)-1-benzothiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-ethyl-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;3,4-difluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide;5-fluoro-N-(6-methyl-3-pyridinyl)-1H-indole-2-carboxamide.
| Compound Name | N-(6-chloro-3-pyridinyl)benzamide;N-(6-chloro-3-pyridinyl)-1-benzothiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-ethyl-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;3,4-difluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide;5-fluoro-N-(6-methyl-3-pyridinyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158441301 |
| Molecular Formula | C100H76Cl5F7N18O7S |
| Molecular Weight | 1984.14 g/mol |
| Exact Mass | 1980.42 |
| IUPAC Name | N-(6-chloro-3-pyridinyl)benzamide;N-(6-chloro-3-pyridinyl)-1-benzothiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-ethyl-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;3,4-difluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide;5-fluoro-N-(6-methyl-3-pyridinyl)-1H-indole-2-carboxamide |
| SMILES | CCc1ccc2[nH]c(C(=O)Nc3ccc(Cl)nc3)cc2c1.Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cn1.O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(F)c(F)c1.O=C(Nc1ccc(Cl)nc1)c1cc2ccccc2[nH]1.O=C(Nc1ccc(Cl)nc1)c1cc2ccccc2s1.O=C(Nc1ccc(Cl)nc1)c1ccc(N2CCCC2)c(F)c1.O=C(Nc1ccc(Cl)nc1)c1ccccc1 |
| InChI | InChI=1S/C16H15ClFN3O.C16H14ClN3O.C15H12FN3O.C14H10ClN3O.C14H9ClN2OS.C13H7F5N2O.C12H9ClN2O/c17-15-6-4-12(10-19-15)20-16(22)11-3-5-14(13(18)9-11)21-7-1-2-8-21;1-2-10-3-5-13-11(7-10)8-14(20-13)16(21)19-12-4-6-15(17)18-9-12;1-9-2-4-12(8-17-9)18-15(20)14-7-10-6-11(16)3-5-13(10)19-14;15-13-6-5-10(8-16-13)17-14(19)12-7-9-3-1-2-4-11(9)18-12;15-13-6-5-10(8-16-13)17-14(18)12-7-9-3-1-2-4-11(9)19-12;14-9-3-1-7(5-10(9)15)12(21)20-8-2-4-11(19-6-8)13(16,17)18;13-11-7-6-10(8-14-11)15-12(16)9-4-2-1-3-5-9/h3-6,9-10H,1-2,7-8H2,(H,20,22);3-9,20H,2H2,1H3,(H,19,21);2-8,19H,1H3,(H,18,20);1-8,18H,(H,17,19);1-8H,(H,17,18);1-6H,(H,20,21);1-8H,(H,15,16) |
| InChIKey | HCVQUCMARGTGCY-UHFFFAOYSA-N |
| XLogP | 25.31 |
| TPSA | 344.54 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1984.14 |
| LogP ≤ 5 | 25.31 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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