C143H130Cl6F7N27O16 — CID 159763280
6-(4-acetylpiperazin-1-yl)-N-(3-benzamido-4-chlorophenyl)pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-morpholin-4-ylbenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159763280) has the molecular formula C143H130Cl6F7N27O16 and a molecular weight of 2828.49 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(3-benzamido-4-chlorophenyl)pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-morpholin-4-ylbenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 6-(4-acetylpiperazin-1-yl)-N-(3-benzamido-4-chlorophenyl)pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-morpholin-4-ylbenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159763280 |
| Molecular Formula | C143H130Cl6F7N27O16 |
| Molecular Weight | 2828.49 g/mol |
| Exact Mass | 2823.82 |
| IUPAC Name | 6-(4-acetylpiperazin-1-yl)-N-(3-benzamido-4-chlorophenyl)pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-morpholin-4-ylbenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccncc4)c3)cn2)CC1.CC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)CCN1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2N2CCOCC2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(CN2CCOCC2)nc1 |
| InChI | InChI=1S/C25H22ClF3N4O3.C25H24ClN5O3.C24H23ClN6O3.C24H24ClN5O2.C24H23ClN4O3.C21H14ClF4N3O2/c1-15-17(7-9-22(30-15)25(27,28)29)23(34)31-16-6-8-19(26)20(14-16)32-24(35)18-4-2-3-5-21(18)33-10-12-36-13-11-33;1-17(32)30-11-13-31(14-12-30)23-10-7-19(16-27-23)25(34)28-20-8-9-21(26)22(15-20)29-24(33)18-5-3-2-4-6-18;1-16(32)30-10-12-31(13-11-30)22-5-2-18(15-27-22)24(34)28-19-3-4-20(25)21(14-19)29-23(33)17-6-8-26-9-7-17;1-16-15-30(12-11-26-16)22-10-7-18(14-27-22)24(32)28-19-8-9-20(25)21(13-19)29-23(31)17-5-3-2-4-6-17;25-21-9-8-19(14-22(21)28-23(30)17-4-2-1-3-5-17)27-24(31)18-6-7-20(26-15-18)16-29-10-12-32-13-11-29;1-11-15(6-8-18(27-11)21(24,25)26)20(31)28-14-5-7-16(22)17(10-14)29-19(30)12-3-2-4-13(23)9-12/h2-9,14H,10-13H2,1H3,(H,31,34)(H,32,35);2-10,15-16H,11-14H2,1H3,(H,28,34)(H,29,33);2-9,14-15H,10-13H2,1H3,(H,28,34)(H,29,33);2-10,13-14,16,26H,11-12,15H2,1H3,(H,28,32)(H,29,31);1-9,14-15H,10-13,16H2,(H,27,31)(H,28,30);2-10H,1H3,(H,28,31)(H,29,30) |
| InChIKey | NFEDISCMVSXUKF-UHFFFAOYSA-N |
| XLogP | 26.43 |
| TPSA | 526.74 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2828.49 |
| LogP ≤ 5 | 26.43 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 29 |