C136H117Cl4F5N22O9 — CID 159663432
N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-fluoro-2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 159663432) has the molecular formula C136H117Cl4F5N22O9 and a molecular weight of 2440.38 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-fluoro-2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-fluoro-2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 159663432 |
| Molecular Formula | C136H117Cl4F5N22O9 |
| Molecular Weight | 2440.38 g/mol |
| Exact Mass | 2436.80 |
| IUPAC Name | N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-fluoro-2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide |
| SMILES | COc1ccc(F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3cc(C)c(F)cc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(F)ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(F)ccc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccncc3Cl)c(N)n2)cc1 |
| InChI | InChI=1S/C21H20FN3O.C20H18FN3O2.C20H18FN3O.C19H15Cl2N3O.C19H16ClN3O2.C19H15F2N3O.C18H15ClN4O/c1-12-4-6-15(7-5-12)21(26)25-19-9-8-16(20(23)24-19)17-10-14(3)18(22)11-13(17)2;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(21)7-9-17(16)26-2;1-12-3-6-14(7-4-12)20(25)24-18-10-9-16(19(22)23-18)17-11-15(21)8-5-13(17)2;1-11-2-4-12(5-3-11)19(25)24-17-9-7-14(18(22)23-17)15-10-13(20)6-8-16(15)21;1-11-2-4-12(5-3-11)19(25)23-17-9-7-14(18(21)22-17)15-10-13(24)6-8-16(15)20;1-11-2-4-12(5-3-11)19(25)24-17-9-7-14(18(22)23-17)15-10-13(20)6-8-16(15)21;1-11-2-4-12(5-3-11)18(24)23-16-7-6-14(17(20)22-16)13-8-9-21-10-15(13)19/h4-11H,1-3H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,22,23,24,25);3-11H,1-2H3,(H3,22,23,24,25);2-10H,1H3,(H3,22,23,24,25);2-10,24H,1H3,(H3,21,22,23,25);2-10H,1H3,(H3,22,23,24,25);2-10H,1H3,(H3,20,22,23,24) |
| InChIKey | MTCIYQCSIOTRIY-UHFFFAOYSA-N |
| XLogP | 30.58 |
| TPSA | 518.42 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2440.38 |
| LogP ≤ 5 | 30.58 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 24 |