C91H96Cl4F12N20O7 — CID 159341306
4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (PubChem CID 159341306) has the molecular formula C91H96Cl4F12N20O7 and a molecular weight of 1951.69 g/mol. Its IUPAC name is 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane.
| Compound Name | 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane |
|---|---|
| PubChem CID | 159341306 |
| Molecular Formula | C91H96Cl4F12N20O7 |
| Molecular Weight | 1951.69 g/mol |
| Exact Mass | 1948.63 |
| IUPAC Name | 4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane |
| SMILES | C.C=C(N)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CCNC(=O)Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCC1.O=C(Cc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)NC1CCCCC1 |
| InChI | InChI=1S/C25H27ClF3N5O2.C24H25ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O.CH4/c26-20-12-16(13-22(35)32-19-4-2-1-3-5-19)14-31-23(20)17-8-10-34(11-9-17)24(36)33-21-7-6-18(15-30-21)25(27,28)29;25-19-11-15(12-21(34)31-18-3-1-2-4-18)13-30-22(19)16-7-9-33(10-8-16)23(35)32-20-6-5-17(14-29-20)24(26,27)28;1-2-26-18(31)10-13-9-16(22)19(28-11-13)14-5-7-30(8-6-14)20(32)29-17-4-3-15(12-27-17)21(23,24)25;1-12(25)8-13-9-16(21)18(27-10-13)14-4-6-29(7-5-14)19(30)28-17-3-2-15(11-26-17)20(22,23)24;/h6-8,12,14-15,19H,1-5,9-11,13H2,(H,32,35)(H,30,33,36);5-7,11,13-14,18H,1-4,8-10,12H2,(H,31,34)(H,29,32,35);3-5,9,11-12H,2,6-8,10H2,1H3,(H,26,31)(H,27,29,32);2-4,9-11H,1,5-8,25H2,(H,26,28,30);1H4 |
| InChIKey | LGECNQRTFKFNLQ-UHFFFAOYSA-N |
| XLogP | 19.80 |
| TPSA | 345.80 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1951.69 |
| LogP ≤ 5 | 19.80 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 16 |