C115H121Cl5F15N25O9 — CID 160577668
4-[5-(3-aminobut-3-en-2-yl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 160577668) has the molecular formula C115H121Cl5F15N25O9 and a molecular weight of 2459.63 g/mol. Its IUPAC name is 4-[5-(3-aminobut-3-en-2-yl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
| Compound Name | 4-[5-(3-aminobut-3-en-2-yl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide |
|---|---|
| PubChem CID | 160577668 |
| Molecular Formula | C115H121Cl5F15N25O9 |
| Molecular Weight | 2459.63 g/mol |
| Exact Mass | 2455.80 |
| IUPAC Name | 4-[5-(3-aminobut-3-en-2-yl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide |
| SMILES | C=C(N)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CC(C(=O)NC1CCCC1)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CC(C(=O)NC1CCCCC1)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CCNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CNC(=O)C(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 |
| InChI | InChI=1S/C26H29ClF3N5O2.C25H27ClF3N5O2.C22H23ClF3N5O2.C21H21ClF3N5O2.C21H21ClF3N5O/c1-16(24(36)33-20-5-3-2-4-6-20)18-13-21(27)23(32-14-18)17-9-11-35(12-10-17)25(37)34-22-8-7-19(15-31-22)26(28,29)30;1-15(23(35)32-19-4-2-3-5-19)17-12-20(26)22(31-13-17)16-8-10-34(11-9-16)24(36)33-21-7-6-18(14-30-21)25(27,28)29;1-3-27-20(32)13(2)15-10-17(23)19(29-11-15)14-6-8-31(9-7-14)21(33)30-18-5-4-16(12-28-18)22(24,25)26;1-12(19(31)26-2)14-9-16(22)18(28-10-14)13-5-7-30(8-6-13)20(32)29-17-4-3-15(11-27-17)21(23,24)25;1-12(13(2)26)15-9-17(22)19(28-10-15)14-5-7-30(8-6-14)20(31)29-18-4-3-16(11-27-18)21(23,24)25/h7-9,13-16,20H,2-6,10-12H2,1H3,(H,33,36)(H,31,34,37);6-8,12-15,19H,2-5,9-11H2,1H3,(H,32,35)(H,30,33,36);4-6,10-13H,3,7-9H2,1-2H3,(H,27,32)(H,28,30,33);3-5,9-12H,6-8H2,1-2H3,(H,26,31)(H,27,29,32);3-5,9-12H,2,6-8,26H2,1H3,(H,27,29,31) |
| InChIKey | RBJDINLIBZUCDZ-UHFFFAOYSA-N |
| XLogP | 25.73 |
| TPSA | 433.02 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2459.63 |
| LogP ≤ 5 | 25.73 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |