C124H105F3N22O12S3 — CID 160656919
N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 160656919) has the molecular formula C124H105F3N22O12S3 and a molecular weight of 2248.54 g/mol. Its IUPAC name is N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 160656919 |
| Molecular Formula | C124H105F3N22O12S3 |
| Molecular Weight | 2248.54 g/mol |
| Exact Mass | 2246.74 |
| IUPAC Name | N-[5-(5-acetamido-2-methylphenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(2-formyl-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | CC(=O)Nc1ccc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(C=O)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccccc1C(=O)Nc1ccc(-c2csc3ccccc23)c(N)n1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cc(C(F)(F)F)nc4s3)c(N)n2)cc1.Cn1c(-c2ccc(NC(=O)c3ccccc3O)nc2N)cc2ccccc21.Nc1nc(NC(=O)c2ccccc2O)ccc1-c1csc2ccccc12 |
| InChI | InChI=1S/C22H22N4O2.C21H18N4O2.C21H19N3O3.C21H17N3O2S.C20H15N3O2S.C19H14F3N5OS/c1-13-4-7-16(8-5-13)22(28)26-20-11-10-18(21(23)25-20)19-12-17(24-15(3)27)9-6-14(19)2;1-25-16-8-4-2-6-13(16)12-17(25)14-10-11-19(23-20(14)22)24-21(27)15-7-3-5-9-18(15)26;1-13-3-5-14(6-4-13)21(26)24-19-10-9-17(20(22)23-19)18-11-16(27-2)8-7-15(18)12-25;1-26-17-8-4-2-7-15(17)21(25)24-19-11-10-14(20(22)23-19)16-12-27-18-9-5-3-6-13(16)18;21-19-13(15-11-26-17-8-4-2-5-12(15)17)9-10-18(22-19)23-20(25)14-6-1-3-7-16(14)24;1-10-2-4-11(5-3-10)17(28)26-15-7-6-12(16(23)25-15)13-8-27-9-14(19(20,21)22)24-18(27)29-13/h4-12H,1-3H3,(H,24,27)(H3,23,25,26,28);2-12,26H,1H3,(H3,22,23,24,27);3-12H,1-2H3,(H3,22,23,24,26);2-12H,1H3,(H3,22,23,24,25);1-11,24H,(H3,21,22,23,25);2-9H,1H3,(H3,23,25,26,28) |
| InChIKey | RLEBLEDJDPNLSO-UHFFFAOYSA-N |
| XLogP | 25.58 |
| TPSA | 535.38 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2248.54 |
| LogP ≤ 5 | 25.58 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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