C129H116ClF5N24O9S4 — CID 157101142
N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 157101142) has the molecular formula C129H116ClF5N24O9S4 and a molecular weight of 2405.22 g/mol. Its IUPAC name is N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide |
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| PubChem CID | 157101142 |
| Molecular Formula | C129H116ClF5N24O9S4 |
| Molecular Weight | 2405.22 g/mol |
| Exact Mass | 2402.78 |
| IUPAC Name | N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc([N+](=O)[O-])ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)c(F)c3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sccc3C)c(N)n2)cc1 |
| InChI | InChI=1S/C20H17F2N3O.C20H18N4O3.C18H16F3N5O.3C18H17N3OS.C17H14ClN3OS/c1-11-3-6-13(7-4-11)20(26)25-16-10-9-15(19(23)24-16)14-8-5-12(2)17(21)18(14)22;1-12-3-6-14(7-4-12)20(25)23-18-10-9-16(19(21)22-18)17-11-15(24(26)27)8-5-13(17)2;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-11-3-6-13(7-4-11)18(22)21-16-10-8-14(17(19)20-16)15-9-5-12(2)23-15;1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2;1-11-3-5-13(6-4-11)18(22)21-15-8-7-14(17(19)20-15)16-12(2)9-10-23-16;1-10-2-4-11(5-3-10)17(22)21-15-9-6-12(16(19)20-15)13-7-8-14(18)23-13/h3-10H,1-2H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,21,22,23,25);3-9H,1-2H3,(H3,22,23,24,27);3*3-10H,1-2H3,(H3,19,20,21,22);2-9H,1H3,(H3,19,20,21,22) |
| InChIKey | AFTVKYFYCCOFJR-UHFFFAOYSA-N |
| XLogP | 29.62 |
| TPSA | 537.03 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2405.22 |
| LogP ≤ 5 | 29.62 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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