C134H131N21O8 — CID 165080197
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindazol-6-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindol-5-yl)phenyl]-N-pyridin-3-ylbutanamide (PubChem CID 165080197) has the molecular formula C134H131N21O8 and a molecular weight of 2163.66 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindazol-6-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindol-5-yl)phenyl]-N-pyridin-3-ylbutanamide.
| Compound Name | 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindazol-6-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindol-5-yl)phenyl]-N-pyridin-3-ylbutanamide |
|---|---|
| PubChem CID | 165080197 |
| Molecular Formula | C134H131N21O8 |
| Molecular Weight | 2163.66 g/mol |
| Exact Mass | 2162.05 |
| IUPAC Name | 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindazol-6-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1-methylindol-5-yl)phenyl]-N-pyridin-3-ylbutanamide |
| SMILES | COc1ccc(-c2ccc(CCCC(=O)Nc3cccnc3)cc2)cn1.Cc1noc(C)c1-c1ccc(CCCC(=O)Nc2cccnc2)cc1.Cn1cc2c(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)cccc2n1.Cn1cc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc2n1.Cn1ccc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc21.Cn1ncc2ccc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)cc21 |
| InChI | InChI=1S/C24H23N3O.3C23H22N4O.C21H21N3O2.C20H21N3O2/c1-27-15-13-21-16-20(11-12-23(21)27)19-9-7-18(8-10-19)4-2-6-24(28)26-22-5-3-14-25-17-22;1-27-16-21-20(7-3-8-22(21)26-27)18-12-10-17(11-13-18)5-2-9-23(28)25-19-6-4-14-24-15-19;1-27-16-20-14-19(11-12-22(20)26-27)18-9-7-17(8-10-18)4-2-6-23(28)25-21-5-3-13-24-15-21;1-27-22-14-19(11-12-20(22)15-25-27)18-9-7-17(8-10-18)4-2-6-23(28)26-21-5-3-13-24-16-21;1-26-21-12-11-18(14-23-21)17-9-7-16(8-10-17)4-2-6-20(25)24-19-5-3-13-22-15-19;1-14-20(15(2)25-23-14)17-10-8-16(9-11-17)5-3-7-19(24)22-18-6-4-12-21-13-18/h3,5,7-17H,2,4,6H2,1H3,(H,26,28);3-4,6-8,10-16H,2,5,9H2,1H3,(H,25,28);3,5,7-16H,2,4,6H2,1H3,(H,25,28);3,5,7-16H,2,4,6H2,1H3,(H,26,28);3,5,7-15H,2,4,6H2,1H3,(H,24,25);4,6,8-13H,3,5,7H2,1-2H3,(H,22,24) |
| InChIKey | UZIBZGXOZNUNCU-UHFFFAOYSA-N |
| XLogP | 27.42 |
| TPSA | 358.48 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2163.66 |
| LogP ≤ 5 | 27.42 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |