C92H91Cl4N19O7 — CID 157122668
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[[(2S)-2-hydroxypropyl]amino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-methylpyridine-3-carboxamide (PubChem CID 157122668) has the molecular formula C92H91Cl4N19O7 and a molecular weight of 1716.68 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[[(2S)-2-hydroxypropyl]amino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-methylpyridine-3-carboxamide.
| Compound Name | 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[[(2S)-2-hydroxypropyl]amino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-methylpyridine-3-carboxamide |
|---|---|
| PubChem CID | 157122668 |
| Molecular Formula | C92H91Cl4N19O7 |
| Molecular Weight | 1716.68 g/mol |
| Exact Mass | 1713.61 |
| IUPAC Name | 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[[(2S)-2-hydroxypropyl]amino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-methylpyridine-3-carboxamide |
| SMILES | CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1.Cc1nc(N2CC(C)OC(C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(NCCc2cnc[nH]2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(NC[C@H](C)O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1 |
| InChI | InChI=1S/C24H24ClN5O2.C24H25ClN4O2.C23H21ClN6O.C21H21ClN4O2/c1-16-19(7-9-23(27-16)30-13-11-29(12-14-30)17(2)31)24(32)28-18-6-8-21(25)20(15-18)22-5-3-4-10-26-22;1-15-13-29(14-16(2)31-15)23-10-8-19(17(3)27-23)24(30)28-18-7-9-21(25)20(12-18)22-6-4-5-11-26-22;1-15-18(6-8-22(29-15)27-11-9-17-13-25-14-28-17)23(31)30-16-5-7-20(24)19(12-16)21-4-2-3-10-26-21;1-13(27)12-24-20-9-7-16(14(2)25-20)21(28)26-15-6-8-18(22)17(11-15)19-5-3-4-10-23-19/h3-10,15H,11-14H2,1-2H3,(H,28,32);4-12,15-16H,13-14H2,1-3H3,(H,28,30);2-8,10,12-14H,9,11H2,1H3,(H,25,28)(H,27,29)(H,30,31);3-11,13,27H,12H2,1-2H3,(H,24,25)(H,26,28)/t;;;13-/m...0/s1 |
| InChIKey | AIDSHDOENRBDIL-MJCDGFDZSA-N |
| XLogP | 17.88 |
| TPSA | 328.51 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1716.68 |
| LogP ≤ 5 | 17.88 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |