C152H154F18N24O13 — CID 159900627
6-(3-tert-butylpyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-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 (PubChem CID 159900627) has the molecular formula C152H154F18N24O13 and a molecular weight of 2867.02 g/mol. Its IUPAC name is 6-(3-tert-butylpyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-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.
| Compound Name | 6-(3-tert-butylpyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-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 |
|---|---|
| PubChem CID | 159900627 |
| Molecular Formula | C152H154F18N24O13 |
| Molecular Weight | 2867.02 g/mol |
| Exact Mass | 2865.18 |
| IUPAC Name | 6-(3-tert-butylpyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-tert-butylpyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-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 |
| SMILES | CC(C)(C)C1CCN(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-c2ccc(OC)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.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCC(C(C)(C)C)C2)cn1 |
| InChI | InChI=1S/C27H29F3N4O2.C26H27F3N4O2.C25H25F3N4O3.2C25H25F3N4O2.C24H23F3N4O2/c1-17-5-6-18(14-31-17)23-13-19(15-32-24(23)34-12-11-20(16-34)26(2,3)4)25(35)33-21-7-9-22(10-8-21)36-27(28,29)30;1-25(2,3)19-10-12-33(16-19)23-22(17-5-4-11-30-14-17)13-18(15-31-23)24(34)32-20-6-8-21(9-7-20)35-26(27,28)29;1-3-16-10-11-32(15-16)23-21(17-4-9-22(34-2)29-13-17)12-18(14-30-23)24(33)31-19-5-7-20(8-6-19)35-25(26,27)28;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;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/h5-10,13-15,20H,11-12,16H2,1-4H3,(H,33,35);4-9,11,13-15,19H,10,12,16H2,1-3H3,(H,32,34);4-9,12-14,16H,3,10-11,15H2,1-2H3,(H,31,33);2*4-9,12-14,17H,3,10-11,15H2,1-2H3,(H,31,33);3-8,10,12-14,16H,2,9,11,15H2,1H3,(H,30,32)/t;;16-;2*17-;16-/m..1101/s1 |
| InChIKey | NVXHMLWTJNUNTQ-RPNVGNEYSA-N |
| XLogP | 35.39 |
| TPSA | 413.33 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2867.02 |
| LogP ≤ 5 | 35.39 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |