C114H114N24O17S5 — CID 158267095
N-[4-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(dimethylsulfamoyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]acetamide;N-[4-[5-[(4-ethylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(pyridin-3-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 158267095) has the molecular formula C114H114N24O17S5 and a molecular weight of 2252.65 g/mol. Its IUPAC name is N-[4-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(dimethylsulfamoyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]acetamide;N-[4-[5-[(4-ethylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(pyridin-3-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide.
| Compound Name | N-[4-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(dimethylsulfamoyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]acetamide;N-[4-[5-[(4-ethylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(pyridin-3-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide |
|---|---|
| PubChem CID | 158267095 |
| Molecular Formula | C114H114N24O17S5 |
| Molecular Weight | 2252.65 g/mol |
| Exact Mass | 2250.74 |
| IUPAC Name | N-[4-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(dimethylsulfamoyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]acetamide;N-[4-[5-[(4-ethylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(pyridin-3-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide |
| SMILES | CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3cccnc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Nc3ccccc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)C(S(=O)(=O)N(C)C)=CC3)ccn1.CCc1ccc(S(=O)(=O)Cc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1.COC(=O)Nc1cc(-c2cnc3ccn(CC4CC4)c3c2)ccn1 |
| InChI | InChI=1S/C22H23N3O3S.C20H20N4O3S.C19H18N4O3S.C18H17N5O3S.C18H18N4O2.C17H18N4O3S/c1-4-17-5-7-21(8-6-17)29(27,28)14-20-11-19(13-24-15(20)2)18-9-10-23-22(12-18)25-16(3)26;1-14-19(24(3)28(26,27)18-7-5-4-6-8-18)11-17(13-22-14)16-9-10-21-20(12-16)23-15(2)25;1-13-17(12-27(25,26)18-4-3-6-20-11-18)8-16(10-22-13)15-5-7-21-19(9-15)23-14(2)24;1-12(24)22-17-10-13(7-8-20-17)14-9-16(18(19)21-11-14)27(25,26)23-15-5-3-2-4-6-15;1-24-18(23)21-17-9-13(4-6-19-17)14-8-16-15(20-10-14)5-7-22(16)11-12-2-3-12;1-11(22)20-17-9-12(6-7-18-17)13-8-14-15(19-10-13)4-5-16(14)25(23,24)21(2)3/h5-13H,4,14H2,1-3H3,(H,23,25,26);4-13H,1-3H3,(H,21,23,25);3-11H,12H2,1-2H3,(H,21,23,24);2-11,23H,1H3,(H2,19,21)(H,20,22,24);4-10,12H,2-3,11H2,1H3,(H,19,21,23);5-10H,4H2,1-3H3,(H,18,20,22) |
| InChIKey | GIOVHGWLOWALGI-UHFFFAOYSA-N |
| XLogP | 18.02 |
| TPSA | 571.56 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2252.65 |
| LogP ≤ 5 | 18.02 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |