C148H146F18N24O12 — CID 157135157
5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157135157) has the molecular formula C148H146F18N24O12 and a molecular weight of 2794.92 g/mol. Its IUPAC name is 5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157135157 |
| Molecular Formula | C148H146F18N24O12 |
| Molecular Weight | 2794.92 g/mol |
| Exact Mass | 2793.13 |
| IUPAC Name | 5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CC[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1.CC[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C1.CCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCCC2)cn1.CCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CC)C2)cn1 |
| InChI | InChI=1S/C26H27F3N4O2.2C25H25F3N4O2.3C24H23F3N4O2/c1-3-17-11-12-33(16-17)24-23(18-5-6-20(4-2)30-14-18)13-19(15-31-24)25(34)32-21-7-9-22(10-8-21)35-26(27,28)29;2*1-3-17-10-11-32(15-17)23-22(18-5-4-16(2)29-13-18)12-19(14-30-23)24(33)31-20-6-8-21(9-7-20)34-25(26,27)28;2*1-2-16-9-11-31(15-16)22-21(17-4-3-10-28-13-17)12-18(14-29-22)23(32)30-19-5-7-20(8-6-19)33-24(25,26)27;1-2-18-6-5-16(14-28-18)21-13-17(15-29-22(21)31-11-3-4-12-31)23(32)30-19-7-9-20(10-8-19)33-24(25,26)27/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3,(H,32,34);2*4-9,12-14,17H,3,10-11,15H2,1-2H3,(H,31,33);2*3-8,10,12-14,16H,2,9,11,15H2,1H3,(H,30,32);5-10,13-15H,2-4,11-12H2,1H3,(H,30,32)/t3*17-;2*16-;/m01010./s1 |
| InChIKey | AJNOLBHQIFRGEI-MNCWISIPSA-N |
| XLogP | 34.29 |
| TPSA | 404.10 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2794.92 |
| LogP ≤ 5 | 34.29 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |