C88H76Cl5N19O7 — CID 157235565
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-5-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 157235565) has the molecular formula C88H76Cl5N19O7 and a molecular weight of 1688.97 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-5-yl)ethylamino]pyridine-3-carboxamide.
| Compound Name | 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-5-yl)ethylamino]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157235565 |
| Molecular Formula | C88H76Cl5N19O7 |
| Molecular Weight | 1688.97 g/mol |
| Exact Mass | 1685.46 |
| IUPAC Name | 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-5-yl)ethylamino]pyridine-3-carboxamide |
| SMILES | O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCC2=CCC=N2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cnc(NCCN2CCOCC2)c(Cl)c1 |
| InChI | InChI=1S/C23H23Cl2N5O2.C23H20ClN5O.C22H19ClN4O3.C20H14ClN5O/c24-19-5-4-17(14-18(19)21-3-1-2-6-26-21)29-23(31)16-13-20(25)22(28-15-16)27-7-8-30-9-11-32-12-10-30;24-20-8-7-18(14-19(20)21-5-1-2-11-26-21)29-23(30)16-6-9-22(28-15-16)27-13-10-17-4-3-12-25-17;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h1-6,13-15H,7-12H2,(H,27,28)(H,29,31);1-2,4-9,11-12,14-15H,3,10,13H2,(H,27,28)(H,29,30);1-8,13-14H,9-12H2,(H,26,28);1-13H,(H,25,27) |
| InChIKey | AUPBQAZWSUDFMN-UHFFFAOYSA-N |
| XLogP | 17.41 |
| TPSA | 315.77 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 119 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1688.97 |
| LogP ≤ 5 | 17.41 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 21 |