C89H80ClF6N17O14S3 — CID 159572626
N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159572626) has the molecular formula C89H80ClF6N17O14S3 and a molecular weight of 1857.37 g/mol. Its IUPAC name is N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide.
| Compound Name | N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide |
|---|---|
| PubChem CID | 159572626 |
| Molecular Formula | C89H80ClF6N17O14S3 |
| Molecular Weight | 1857.37 g/mol |
| Exact Mass | 1855.48 |
| IUPAC Name | N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide |
| SMILES | CC(=O)Cc1cc(-c2ccnc(NC(C)=O)c2)cnc1C.CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3F)c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(C)=O)c2)ccn1.COC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1 |
| InChI | InChI=1S/C20H16ClF3N4O3S.C20H17F2N3O4S.C19H17FN4O3S.C16H17N3O2.C14H13N3O2/c1-11-17(7-14(10-26-11)13-5-6-25-19(8-13)27-12(2)29)28-32(30,31)18-4-3-15(9-16(18)21)20(22,23)24;1-12-15(11-30(27,28)18-4-3-16(21)9-17(18)22)7-14(10-24-12)13-5-6-23-19(8-13)25-20(26)29-2;1-12(25)24-18-9-13(6-7-22-18)15-8-17(19(21)23-10-15)28(26,27)11-14-4-2-3-5-16(14)20;1-10(20)6-14-7-15(9-18-11(14)2)13-4-5-17-16(8-13)19-12(3)21;1-9(18)12-5-13(8-15-7-12)11-3-4-16-14(6-11)17-10(2)19/h3-10,28H,1-2H3,(H,25,27,29);3-10H,11H2,1-2H3,(H,23,25,26);2-10H,11H2,1H3,(H2,21,23)(H,22,24,25);4-5,7-9H,6H2,1-3H3,(H,17,19,21);3-8H,1-2H3,(H,16,17,19) |
| InChIKey | MHZXELXMADYCIT-UHFFFAOYSA-N |
| XLogP | 16.41 |
| TPSA | 458.24 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 130 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1857.37 |
| LogP ≤ 5 | 16.41 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |