C219H204F6N24O31 — CID 158688352
N-[(3S)-6-amino-2,6-dioxohexan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-1-amino-1,4-dioxopentan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-1-oxo-3-(3H-pyrrol-5-yl)propan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(2S)-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyridine-2-carboxamide;methyl (2R)-5-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-methyl-4-oxopentanoate;6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 158688352) has the molecular formula C219H204F6N24O31 and a molecular weight of 3782.17 g/mol. Its IUPAC name is N-[(3S)-6-amino-2,6-dioxohexan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-1-amino-1,4-dioxopentan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-1-oxo-3-(3H-pyrrol-5-yl)propan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(2S)-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyridine-2-carboxamide;methyl (2R)-5-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-methyl-4-oxopentanoate;6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide.
| Compound Name | N-[(3S)-6-amino-2,6-dioxohexan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-1-amino-1,4-dioxopentan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-1-oxo-3-(3H-pyrrol-5-yl)propan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(2S)-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyridine-2-carboxamide;methyl (2R)-5-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-methyl-4-oxopentanoate;6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158688352 |
| Molecular Formula | C219H204F6N24O31 |
| Molecular Weight | 3782.17 g/mol |
| Exact Mass | 3779.50 |
| IUPAC Name | N-[(3S)-6-amino-2,6-dioxohexan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-1-amino-1,4-dioxopentan-3-yl]-6-[4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;N-[(2S)-1-amino-1-oxo-3-(3H-pyrrol-5-yl)propan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(2S)-1-hydroxy-3-oxobutan-2-yl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyridine-2-carboxamide;methyl (2R)-5-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-methyl-4-oxopentanoate;6-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide |
| SMILES | CC(=O)[C@@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(C)C.CC(=O)[C@H](C)NC(=O)c1cccc(-c2ccc(Oc3ccc(C)cn3)cc2)n1.CC(=O)[C@H](CC(N)=O)NC(=O)c1cccc(-c2ccc(Oc3ccc(C)cc3)cc2)n1.CC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2ccc(Oc3ccc(C)cc3)cc2)n1.CC(=O)[C@H](CCCCN)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.CC(=O)[C@H](CO)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.COC(=O)[C@H](C)CC(=O)Cc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.Cc1ccc(C[C@H](NC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C(N)=O)cc1.NC(=O)[C@H](CC1=CCC=N1)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 |
| InChI | InChI=1S/C28H24FN3O3.C25H21FN4O3.C25H26FN3O3.C25H25N3O4.C24H23FN2O3.C24H22FNO4.C24H23N3O4.C22H19FN2O4.C22H21N3O3/c1-18-5-7-19(8-6-18)17-26(27(30)33)32-28(34)25-4-2-3-24(31-25)20-9-13-22(14-10-20)35-23-15-11-21(29)12-16-23;26-17-8-12-20(13-9-17)33-19-10-6-16(7-11-19)21-4-1-5-22(29-21)25(32)30-23(24(27)31)15-18-3-2-14-28-18;1-17(30)22(5-2-3-16-27)29-25(31)24-7-4-6-23(28-24)18-8-12-20(13-9-18)32-21-14-10-19(26)11-15-21;1-16-6-10-19(11-7-16)32-20-12-8-18(9-13-20)22-4-3-5-23(27-22)25(31)28-21(17(2)29)14-15-24(26)30;1-15(2)23(16(3)28)27-24(29)22-6-4-5-21(26-22)17-7-11-19(12-8-17)30-20-13-9-18(25)10-14-20;1-16(24(28)29-2)14-20(27)15-19-4-3-5-23(26-19)17-6-10-21(11-7-17)30-22-12-8-18(25)9-13-22;1-15-6-10-18(11-7-15)31-19-12-8-17(9-13-19)20-4-3-5-21(26-20)24(30)27-22(16(2)28)14-23(25)29;1-14(27)21(13-26)25-22(28)20-4-2-3-19(24-20)15-5-9-17(10-6-15)29-18-11-7-16(23)8-12-18;1-14-7-12-21(23-13-14)28-18-10-8-17(9-11-18)19-5-4-6-20(25-19)22(27)24-15(2)16(3)26/h2-16,26H,17H2,1H3,(H2,30,33)(H,32,34);1,3-14,23H,2,15H2,(H2,27,31)(H,30,32);4,6-15,22H,2-3,5,16,27H2,1H3,(H,29,31);3-13,21H,14-15H2,1-2H3,(H2,26,30)(H,28,31);4-15,23H,1-3H3,(H,27,29);3-13,16H,14-15H2,1-2H3;3-13,22H,14H2,1-2H3,(H2,25,29)(H,27,30);2-12,21,26H,13H2,1H3,(H,25,28);4-13,15H,1-3H3,(H,24,27)/t26-;23-;22-;21-;23-;16-;22-;21-;15-/m000001000/s1 |
| InChIKey | IGAJBNVAFNTMCH-SQMZRBJJSA-N |
| XLogP | 37.86 |
| TPSA | 821.53 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 71 |
| Heavy Atoms | 280 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3782.17 |
| LogP ≤ 5 | 37.86 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 43 |