C142H136F18N30O14 — CID 160657343
6-(4-acetylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-oxopropyl)piperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 160657343) has the molecular formula C142H136F18N30O14 and a molecular weight of 2828.81 g/mol. Its IUPAC name is 6-(4-acetylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-oxopropyl)piperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 6-(4-acetylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-oxopropyl)piperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160657343 |
| Molecular Formula | C142H136F18N30O14 |
| Molecular Weight | 2828.81 g/mol |
| Exact Mass | 2827.06 |
| IUPAC Name | 6-(4-acetylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-oxopropyl)piperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CC(=O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.CC(=O)CC1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CCC1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@H]1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1 |
| InChI | InChI=1S/C25H24F3N5O3.C24H22F3N5O3.C24H24F3N5O2.3C23H22F3N5O2/c1-16(34)9-17-3-2-8-33(14-17)23-22(19-11-29-15-30-12-19)10-18(13-31-23)24(35)32-20-4-6-21(7-5-20)36-25(26,27)28;1-15(33)16-6-8-32(9-7-16)22-21(18-11-28-14-29-12-18)10-17(13-30-22)23(34)31-19-2-4-20(5-3-19)35-24(25,26)27;1-2-16-4-3-9-32(14-16)22-21(18-11-28-15-29-12-18)10-17(13-30-22)23(33)31-19-5-7-20(8-6-19)34-24(25,26)27;3*1-15-3-2-8-31(13-15)21-20(17-10-27-14-28-11-17)9-16(12-29-21)22(32)30-18-4-6-19(7-5-18)33-23(24,25)26/h4-7,10-13,15,17H,2-3,8-9,14H2,1H3,(H,32,35);2-5,10-14,16H,6-9H2,1H3,(H,31,34);5-8,10-13,15-16H,2-4,9,14H2,1H3,(H,31,33);3*4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,30,32)/t;;;2*15-;/m...10./s1 |
| InChIKey | RLFJSVDWPSNCGF-RGRYSZDCSA-N |
| XLogP | 29.47 |
| TPSA | 515.58 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2828.81 |
| LogP ≤ 5 | 29.47 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 38 |