C147H138Cl7FN24O17 — CID 157426056
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-[(4-acetylpiperazin-1-yl)methyl]-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-morpholin-4-ylbenzamide;N-(3-benzamido-4-chlorophenyl)-4-morpholin-4-ylbenzamide (PubChem CID 157426056) has the molecular formula C147H138Cl7FN24O17 and a molecular weight of 2780.04 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-[(4-acetylpiperazin-1-yl)methyl]-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-morpholin-4-ylbenzamide;N-(3-benzamido-4-chlorophenyl)-4-morpholin-4-ylbenzamide.
| Compound Name | 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-[(4-acetylpiperazin-1-yl)methyl]-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-morpholin-4-ylbenzamide;N-(3-benzamido-4-chlorophenyl)-4-morpholin-4-ylbenzamide |
|---|---|
| PubChem CID | 157426056 |
| Molecular Formula | C147H138Cl7FN24O17 |
| Molecular Weight | 2780.04 g/mol |
| Exact Mass | 2774.85 |
| IUPAC Name | 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;6-[(4-acetylpiperazin-1-yl)methyl]-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-morpholin-4-ylbenzamide;N-(3-benzamido-4-chlorophenyl)-4-morpholin-4-ylbenzamide |
| SMILES | CC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)cn2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)CC1.CN1CCOc2cc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)ccc21.O=C(Nc1cc(NC(=O)c2ccccc2N2CCOCC2)ccc1Cl)c1ccccc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 |
| InChI | InChI=1S/C26H25Cl2N5O3.C25H23ClFN5O3.C25H26ClN5O2.2C24H22ClN3O3.C23H20ClN3O3/c1-17(34)33-11-9-32(10-12-33)16-22-6-5-19(15-29-22)26(36)30-21-7-8-23(28)24(14-21)31-25(35)18-3-2-4-20(27)13-18;1-16(33)31-9-11-32(12-10-31)23-8-5-18(15-28-23)25(35)29-20-6-7-21(26)22(14-20)30-24(34)17-3-2-4-19(27)13-17;1-30-11-13-31(14-12-30)17-21-8-7-19(16-27-21)25(33)28-20-9-10-22(26)23(15-20)29-24(32)18-5-3-2-4-6-18;25-20-11-10-18(16-21(20)27-23(29)17-6-2-1-3-7-17)26-24(30)19-8-4-5-9-22(19)28-12-14-31-15-13-28;25-21-11-8-19(16-22(21)27-24(30)17-4-2-1-3-5-17)26-23(29)18-6-9-20(10-7-18)28-12-14-31-15-13-28;1-27-11-12-30-21-13-16(7-10-20(21)27)23(29)25-17-8-9-18(24)19(14-17)26-22(28)15-5-3-2-4-6-15/h2-8,13-15H,9-12,16H2,1H3,(H,30,36)(H,31,35);2-8,13-15H,9-12H2,1H3,(H,29,35)(H,30,34);2-10,15-16H,11-14,17H2,1H3,(H,28,33)(H,29,32);1-11,16H,12-15H2,(H,26,30)(H,27,29);1-11,16H,12-15H2,(H,26,29)(H,27,30);2-10,13-14H,11-12H2,1H3,(H,25,29)(H,26,28) |
| InChIKey | BPYXCZXOTBJTOH-UHFFFAOYSA-N |
| XLogP | 26.63 |
| TPSA | 478.86 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2780.04 |
| LogP ≤ 5 | 26.63 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |