C128H109BrCl2F10N18O12 — CID 159928863
N-[6-amino-5-[2,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate (PubChem CID 159928863) has the molecular formula C128H109BrCl2F10N18O12 and a molecular weight of 2432.18 g/mol. Its IUPAC name is N-[6-amino-5-[2,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate.
| Compound Name | N-[6-amino-5-[2,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate |
|---|---|
| PubChem CID | 159928863 |
| Molecular Formula | C128H109BrCl2F10N18O12 |
| Molecular Weight | 2432.18 g/mol |
| Exact Mass | 2428.69 |
| IUPAC Name | N-[6-amino-5-[2,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate |
| SMILES | COC(=O)c1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1c(Br)cc(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc2ccccc2cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1ccc(OC(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3c(Cl)ccc(C)c3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c(N)n2)cc1 |
| InChI | InChI=1S/C24H21N3O2.C21H20BrN3O2.C21H18ClN3O3.C21H15F6N3O.C21H18F3N3O3.C20H17ClFN3O/c1-15-7-9-16(10-8-15)24(28)27-22-12-11-19(23(25)26-22)20-13-17-5-3-4-6-18(17)14-21(20)29-2;1-12-4-6-14(7-5-12)21(26)25-18-9-8-15(20(23)24-18)16-10-13(2)11-17(22)19(16)27-3;1-12-3-5-13(6-4-12)20(26)25-18-10-8-15(19(23)24-18)16-11-14(21(27)28-2)7-9-17(16)22;1-11-2-4-12(5-3-11)19(31)30-17-9-7-14(18(28)29-17)15-10-13(20(22,23)24)6-8-16(15)21(25,26)27;1-12-3-5-13(6-4-12)20(28)27-18-10-8-15(19(25)26-18)16-11-14(30-21(22,23)24)7-9-17(16)29-2;1-11-3-6-13(7-4-11)20(26)25-16-10-8-14(19(23)24-16)17-15(21)9-5-12(2)18(17)22/h3-14H,1-2H3,(H3,25,26,27,28);4-11H,1-3H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,23,24,25,26);2-10H,1H3,(H3,28,29,30,31);3-11H,1-2H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,23,24,25,26) |
| InChIKey | NZJJEPMJLUBNNO-UHFFFAOYSA-N |
| XLogP | 30.08 |
| TPSA | 471.28 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2432.18 |
| LogP ≤ 5 | 30.08 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |