C187H211N23O11 — CID 159379724
N-(4-tert-butylcyclohexyl)pyrrolo[2,3-b]pyridine-1-carboxamide;N-(4-tert-butylcyclohexyl)quinoline-8-carboxamide;4-tert-butyl-2-methyl-N-quinolin-8-ylbenzamide;4-tert-butyl-N-(1,7-naphthyridin-8-yl)benzamide;4-tert-butyl-N-(4-oxo-1H-pyridin-3-yl)benzamide;3-(4-tert-butylphenyl)-1H-benzimidazol-2-one;3-(4-tert-butylphenyl)-1H-imidazo[4,5-c]pyridin-2-one;bis(4-tert-butyl-N-quinolin-8-ylbenzamide);4-tert-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide (PubChem CID 159379724) has the molecular formula C187H211N23O11 and a molecular weight of 2956.89 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)pyrrolo[2,3-b]pyridine-1-carboxamide;N-(4-tert-butylcyclohexyl)quinoline-8-carboxamide;4-tert-butyl-2-methyl-N-quinolin-8-ylbenzamide;4-tert-butyl-N-(1,7-naphthyridin-8-yl)benzamide;4-tert-butyl-N-(4-oxo-1H-pyridin-3-yl)benzamide;3-(4-tert-butylphenyl)-1H-benzimidazol-2-one;3-(4-tert-butylphenyl)-1H-imidazo[4,5-c]pyridin-2-one;bis(4-tert-butyl-N-quinolin-8-ylbenzamide);4-tert-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide.
| Compound Name | N-(4-tert-butylcyclohexyl)pyrrolo[2,3-b]pyridine-1-carboxamide;N-(4-tert-butylcyclohexyl)quinoline-8-carboxamide;4-tert-butyl-2-methyl-N-quinolin-8-ylbenzamide;4-tert-butyl-N-(1,7-naphthyridin-8-yl)benzamide;4-tert-butyl-N-(4-oxo-1H-pyridin-3-yl)benzamide;3-(4-tert-butylphenyl)-1H-benzimidazol-2-one;3-(4-tert-butylphenyl)-1H-imidazo[4,5-c]pyridin-2-one;bis(4-tert-butyl-N-quinolin-8-ylbenzamide);4-tert-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 159379724 |
| Molecular Formula | C187H211N23O11 |
| Molecular Weight | 2956.89 g/mol |
| Exact Mass | 2954.67 |
| IUPAC Name | N-(4-tert-butylcyclohexyl)pyrrolo[2,3-b]pyridine-1-carboxamide;N-(4-tert-butylcyclohexyl)quinoline-8-carboxamide;4-tert-butyl-2-methyl-N-quinolin-8-ylbenzamide;4-tert-butyl-N-(1,7-naphthyridin-8-yl)benzamide;4-tert-butyl-N-(4-oxo-1H-pyridin-3-yl)benzamide;3-(4-tert-butylphenyl)-1H-benzimidazol-2-one;3-(4-tert-butylphenyl)-1H-imidazo[4,5-c]pyridin-2-one;bis(4-tert-butyl-N-quinolin-8-ylbenzamide);4-tert-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide |
| SMILES | CC(C)(C)C1CCC(C(=O)Nc2cccc3cccnc23)CC1.CC(C)(C)C1CCC(NC(=O)c2cccc3cccnc23)CC1.CC(C)(C)C1CCC(NC(=O)n2ccc3cccnc32)CC1.CC(C)(C)c1ccc(-n2c(=O)[nH]c3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(=O)[nH]c3ccncc32)cc1.CC(C)(C)c1ccc(C(=O)Nc2c[nH]ccc2=O)cc1.CC(C)(C)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.CC(C)(C)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.CC(C)(C)c1ccc(C(=O)Nc2nccc3cccnc23)cc1.Cc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2cccnc12 |
| InChI | InChI=1S/C21H22N2O.2C20H26N2O.2C20H20N2O.C19H19N3O.C18H25N3O.C17H18N2O.C16H17N3O.C16H18N2O2/c1-14-13-16(21(2,3)4)10-11-17(14)20(24)23-18-9-5-7-15-8-6-12-22-19(15)18;1-20(2,3)15-9-11-16(12-10-15)22-19(23)17-8-4-6-14-7-5-13-21-18(14)17;3*1-20(2,3)16-11-9-15(10-12-16)19(23)22-17-8-4-6-14-7-5-13-21-18(14)17;1-19(2,3)15-8-6-14(7-9-15)18(23)22-17-16-13(10-12-21-17)5-4-11-20-16;1-18(2,3)14-6-8-15(9-7-14)20-17(22)21-12-10-13-5-4-11-19-16(13)21;1-17(2,3)12-8-10-13(11-9-12)19-15-7-5-4-6-14(15)18-16(19)20;1-16(2,3)11-4-6-12(7-5-11)19-14-10-17-9-8-13(14)18-15(19)20;1-16(2,3)12-6-4-11(5-7-12)15(20)18-13-10-17-9-8-14(13)19/h5-13H,1-4H3,(H,23,24);2*4-8,13,15-16H,9-12H2,1-3H3,(H,22,23);2*4-13H,1-3H3,(H,22,23);4-12H,1-3H3,(H,21,22,23);4-5,10-12,14-15H,6-9H2,1-3H3,(H,20,22);4-11H,1-3H3,(H,18,20);4-10H,1-3H3,(H,18,20);4-10H,1-3H3,(H,17,19)(H,18,20) |
| InChIKey | LKTGHVDBZYNABA-UHFFFAOYSA-N |
| XLogP | 42.19 |
| TPSA | 462.18 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2956.89 |
| LogP ≤ 5 | 42.19 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 23 |