C160H167ClF11N21O24 — CID 159508485
4-chloro-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 159508485) has the molecular formula C160H167ClF11N21O24 and a molecular weight of 3012.65 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.
| Compound Name | 4-chloro-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide |
|---|---|
| PubChem CID | 159508485 |
| Molecular Formula | C160H167ClF11N21O24 |
| Molecular Weight | 3012.65 g/mol |
| Exact Mass | 3010.20 |
| IUPAC Name | 4-chloro-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C3(C(F)(F)F)CC3)c2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2CCOCC2)c1 |
| InChI | InChI=1S/C29H30F3N3O4.C29H32N4O4.C27H29F2N3O4.C25H26ClN3O4.2C25H25F3N4O4/c1-18-2-3-22(34-27(37)20-4-9-33-25(15-20)28(7-8-28)29(30,31)32)17-23(18)21-14-24(19-5-11-38-12-6-19)35-26(16-21)39-13-10-36;1-19-4-5-23(32-28(35)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-11-36-12-8-20)33-27(16-22)37-13-10-34;1-17-3-4-21(31-26(34)19-5-8-30-24(14-19)27(2,28)29)16-22(17)20-13-23(18-6-10-35-11-7-18)32-25(15-20)36-12-9-33;1-16-2-3-20(28-25(31)23-14-19(26)4-7-27-23)15-21(16)18-12-22(17-5-9-32-10-6-17)29-24(13-18)33-11-8-30;1-15-2-3-19(30-24(34)18-11-22(25(26,27)28)32-29-14-18)13-20(15)17-10-21(16-4-7-35-8-5-16)31-23(12-17)36-9-6-33;1-15-2-3-18(31-24(34)21-13-22(25(26,27)28)30-14-29-21)12-19(15)17-10-20(16-4-7-35-8-5-16)32-23(11-17)36-9-6-33/h2-4,9,14-17,19,36H,5-8,10-13H2,1H3,(H,34,37);4-6,9,14-17,20,34H,7-8,10-13H2,1-3H3,(H,32,35);3-5,8,13-16,18,33H,6-7,9-12H2,1-2H3,(H,31,34);2-4,7,12-15,17,30H,5-6,8-11H2,1H3,(H,28,31);2-3,10-14,16,33H,4-9H2,1H3,(H,30,34);2-3,10-14,16,33H,4-9H2,1H3,(H,31,34) |
| InChIKey | MAHLSKTWMRSSSD-UHFFFAOYSA-N |
| XLogP | 28.80 |
| TPSA | 610.99 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3012.65 |
| LogP ≤ 5 | 28.80 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 39 |