C142H129Cl3FN23O15 — CID 159342507
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide (PubChem CID 159342507) has the molecular formula C142H129Cl3FN23O15 and a molecular weight of 2523.10 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide.
| Compound Name | N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide |
|---|---|
| PubChem CID | 159342507 |
| Molecular Formula | C142H129Cl3FN23O15 |
| Molecular Weight | 2523.10 g/mol |
| Exact Mass | 2519.91 |
| IUPAC Name | N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide |
| SMILES | COc1ccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)cc1OC.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(OC)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1cccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C#N)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1 |
| InChI | InChI=1S/2C21H21N3O3.C20H17ClN4O2.C20H15ClN4O.C20H18ClN3O2.C20H18FN3O2.C20H19N3O2/c1-13-4-6-14(7-5-13)21(25)24-19-11-9-16(20(22)23-19)17-12-15(26-2)8-10-18(17)27-3;1-13-5-4-6-15(11-13)21(25)24-19-10-8-16(20(22)23-19)14-7-9-17(26-2)18(12-14)27-3;1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-2-5-14(6-3-12)20(26)25-18-9-7-15(19(23)24-18)16-10-13(11-22)4-8-17(16)21;2*1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-13-5-3-7-15(11-13)20(24)23-18-10-9-17(19(21)22-18)14-6-4-8-16(12-14)25-2/h2*4-12H,1-3H3,(H3,22,23,24,25);2-10H,1H3,(H2,23,26)(H3,22,24,25,27);2-10H,1H3,(H3,23,24,25,26);2*3-11H,1-2H3,(H3,22,23,24,25);3-12H,1-2H3,(H3,21,22,23,24) |
| InChIKey | LGHPZAZAPBRNEA-UHFFFAOYSA-N |
| XLogP | 28.37 |
| TPSA | 607.56 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2523.10 |
| LogP ≤ 5 | 28.37 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |