C350H341N47O24S3 — CID 157454971
N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(2-aminopyrimidin-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;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;N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;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;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide (PubChem CID 157454971) has the molecular formula C350H341N47O24S3 and a molecular weight of 5686.08 g/mol. Its IUPAC name is N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(2-aminopyrimidin-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;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;N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;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;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide.
| Compound Name | N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(2-aminopyrimidin-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;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;N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;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;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157454971 |
| Molecular Formula | C350H341N47O24S3 |
| Molecular Weight | 5686.08 g/mol |
| Exact Mass | 5681.61 |
| IUPAC Name | N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(2-aminopyrimidin-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;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;N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyridine-3-carboxamide;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;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide |
| 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(-c3ccc(N)nc3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)s1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCC(=O)N4)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCO4)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cccc4cc[nH]c34)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc(N)nc3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)s1.Cc1ccc(CC(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3c(c2)OCC(=O)N3)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ncc3c2C)cc1.O=C(NCCCc1ccc(-c2cnc3[nH]ccc3c2)cc1)c1cccnc1 |
| InChI | InChI=1S/C25H23N3O2.C25H25N3O.C25H24N2O3.C24H24N4O.C24H25N3O3.C24H23N3O3.2C24H23N3O.C24H22N2OS.C23H23N3OS.C23H22N2O3.C22H20N4O.C22H21N3OS.C21H22N4O.C20H21N5O/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;1-16-6-3-4-8-20(16)24(29)25-13-5-7-18-9-11-19(12-10-18)21-14-26-23-22(17(21)2)15-27-28-23;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;1-16-4-7-20(14-26-16)24(29)25-12-2-3-17-5-8-18(9-6-17)19-10-11-21-22(13-19)30-15-23(28)27-21;1-17-7-10-21(16-27-17)24(28)26-14-3-4-18-8-11-19(12-9-18)22-6-2-5-20-13-15-25-23(20)22;1-17-5-2-3-7-22(17)24(28)26-13-4-6-18-8-10-19(11-9-18)21-15-20-12-14-25-23(20)27-16-21;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;1-15-5-12-22(28-15)23(27)24-13-3-4-17-6-8-18(9-7-17)19-10-11-21-20(16(19)2)14-25-26-21;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;27-22(19-4-2-10-23-14-19)25-11-1-3-16-5-7-17(8-6-16)20-13-18-9-12-24-21(18)26-15-20;1-15-4-9-20(27-15)22(26)24-11-2-3-16-5-7-17(8-6-16)19-13-18-10-12-23-21(18)25-14-19;1-15-4-7-19(14-24-15)21(26)23-12-2-3-16-5-8-17(9-6-16)18-10-11-20(22)25-13-18;1-14-4-7-17(11-23-14)19(26)22-10-2-3-15-5-8-16(9-6-15)18-12-24-20(21)25-13-18/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);3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,25,29)(H,26,27,28);5-10,12-14H,3-4,11,15H2,1-2H3,(H,25,29)(H,26,28);4-11,13-14H,2-3,12,15H2,1H3,(H,25,29)(H,27,28);2,5-13,15-16,25H,3-4,14H2,1H3,(H,26,28);2-3,5,7-12,14-16H,4,6,13H2,1H3,(H,25,27)(H,26,28);2-3,6-13,15-16H,4-5,14H2,1H3,(H,25,27);5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H,25,26);4-11,13-14H,2-3,12,15H2,1H3,(H,24,26);2,4-10,12-15H,1,3,11H2,(H,24,26)(H,25,27);4-10,12-14H,2-3,11H2,1H3,(H,23,25)(H,24,26);4-11,13-14H,2-3,12H2,1H3,(H2,22,25)(H,23,26);4-9,11-13H,2-3,10H2,1H3,(H,22,26)(H2,21,24,25) |
| InChIKey | BTGBRUURPBKQIU-UHFFFAOYSA-N |
| XLogP | 65.49 |
| TPSA | 1002.33 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 91 |
| Heavy Atoms | 424 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5686.08 |
| LogP ≤ 5 | 65.49 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 48 |