C124H115Cl2FN22O10 — CID 157312591
N-[6-amino-5-(5-chloro-2-fluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-4-methylbenzamide;tert-butyl 2-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]pyrrole-1-carboxylate (PubChem CID 157312591) has the molecular formula C124H115Cl2FN22O10 and a molecular weight of 2163.33 g/mol. Its IUPAC name is N-[6-amino-5-(5-chloro-2-fluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-4-methylbenzamide;tert-butyl 2-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]pyrrole-1-carboxylate.
| Compound Name | N-[6-amino-5-(5-chloro-2-fluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-4-methylbenzamide;tert-butyl 2-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]pyrrole-1-carboxylate |
|---|---|
| PubChem CID | 157312591 |
| Molecular Formula | C124H115Cl2FN22O10 |
| Molecular Weight | 2163.33 g/mol |
| Exact Mass | 2160.85 |
| IUPAC Name | N-[6-amino-5-(5-chloro-2-fluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-4-methylbenzamide;tert-butyl 2-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]pyrrole-1-carboxylate |
| SMILES | COc1ccc(Cl)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3cc(-c4ncco4)ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(Cl)ccc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4n3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cccn3C(=O)OC(C)(C)C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cccn3C)c(N)n2)cc1 |
| InChI | InChI=1S/C23H20N4O2.C22H24N4O3.C22H20N4O.C20H18ClN3O2.C19H15ClFN3O.C18H18N4O/c1-14-3-6-16(7-4-14)22(28)27-20-10-9-18(21(24)26-20)19-13-17(8-5-15(19)2)23-25-11-12-29-23;1-14-7-9-15(10-8-14)20(27)25-18-12-11-16(19(23)24-18)17-6-5-13-26(17)21(28)29-22(2,3)4;1-14-7-9-15(10-8-14)22(27)25-20-12-11-17(21(23)24-20)19-13-16-5-3-4-6-18(16)26(19)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;1-11-2-4-12(5-3-11)19(25)24-17-9-7-14(18(22)23-17)15-10-13(20)6-8-16(15)21;1-12-5-7-13(8-6-12)18(23)21-16-10-9-14(17(19)20-16)15-4-3-11-22(15)2/h3-13H,1-2H3,(H3,24,26,27,28);5-13H,1-4H3,(H3,23,24,25,27);3-13H,1-2H3,(H3,23,24,25,27);3-11H,1-2H3,(H3,22,23,24,25);2-10H,1H3,(H3,22,23,24,25);3-11H,1-2H3,(H3,19,20,21,23) |
| InChIKey | BDFGAALZJFEIMU-UHFFFAOYSA-N |
| XLogP | 26.18 |
| TPSA | 484.41 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2163.33 |
| LogP ≤ 5 | 26.18 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 26 |