C146H141N15O13S — CID 165098824
N-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-benzothiophen-2-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyrrole-2-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]pyridine-3-carboxamide;2-(4-methylphenyl)-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]acetamide (PubChem CID 165098824) has the molecular formula C146H141N15O13S and a molecular weight of 2345.89 g/mol. Its IUPAC name is N-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-benzothiophen-2-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyrrole-2-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]pyridine-3-carboxamide;2-(4-methylphenyl)-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]acetamide.
| Compound Name | N-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-benzothiophen-2-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyrrole-2-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]pyridine-3-carboxamide;2-(4-methylphenyl)-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]acetamide |
|---|---|
| PubChem CID | 165098824 |
| Molecular Formula | C146H141N15O13S |
| Molecular Weight | 2345.89 g/mol |
| Exact Mass | 2344.06 |
| IUPAC Name | N-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-benzothiophen-2-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyrrole-2-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]pyridine-3-carboxamide;2-(4-methylphenyl)-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]acetamide |
| SMILES | Cc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCC(=O)N4)cc2)n(C)c1.Cc1ccc(C(=O)NCCCc2ccc(-c3cc4ccccc4s3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCO4)cc2)cn1.Cc1ccc(CC(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3c(c2)OCC(=O)N3)cc1 |
| InChI | InChI=1S/C25H23N3O2.C25H25N3O.C25H24N2O3.C24H25N3O3.C24H22N2OS.C23H22N2O3/c1-17-4-7-22(16-27-17)25(30)26-14-2-3-18-5-8-19(9-6-18)20-10-12-23-21(15-20)11-13-24(29)28-23;1-18-4-6-20(7-5-18)15-24(29)26-13-2-3-19-8-10-21(11-9-19)23-16-22-12-14-27-25(22)28-17-23;1-17-5-2-3-7-21(17)25(29)26-14-4-6-18-8-10-19(11-9-18)20-12-13-22-23(15-20)30-16-24(28)27-22;1-16-12-21(27(2)14-16)24(29)25-11-3-4-17-5-7-18(8-6-17)19-9-10-20-22(13-19)30-15-23(28)26-20;1-17-8-11-21(16-26-17)24(27)25-14-4-5-18-9-12-19(13-10-18)23-15-20-6-2-3-7-22(20)28-23;1-16-4-7-20(14-25-16)23(26)24-12-2-3-17-5-8-18(9-6-17)19-10-11-21-22(13-19)28-15-27-21/h4-13,15-16H,2-3,14H2,1H3,(H,26,30)(H,28,29);4-12,14,16-17H,2-3,13,15H2,1H3,(H,26,29)(H,27,28);2-3,5,7-13,15H,4,6,14,16H2,1H3,(H,26,29)(H,27,28);5-10,12-14H,3-4,11,15H2,1-2H3,(H,25,29)(H,26,28);2-3,6-13,15-16H,4-5,14H2,1H3,(H,25,27);4-11,13-14H,2-3,12,15H2,1H3,(H,24,26) |
| InChIKey | XZAMGXIKMUEWGG-UHFFFAOYSA-N |
| XLogP | 26.92 |
| TPSA | 374.86 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2345.89 |
| LogP ≤ 5 | 26.92 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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