C100H131F7N18O14 — CID 161227008
3-(3-fluoro-2-pyridinyl)butanamide;3-hydroxy-3-[3-(trifluoromethyl)phenyl]butanamide;3-(4-methoxyphenyl)-3-methylbutanamide;3-(6-methoxy-2-pyridinyl)butanamide;3-(6-methoxy-3-pyridinyl)butanamide;3-(6-methyl-2-pyridinyl)butanamide;3-(6-methyl-3-pyridinyl)butanamide;3-pyridin-2-ylbutanamide;3-pyridin-3-ylbutanamide;3-[6-(trifluoromethyl)-3-pyridinyl]butanamide (PubChem CID 161227008) has the molecular formula C100H131F7N18O14 and a molecular weight of 1942.25 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)butanamide;3-hydroxy-3-[3-(trifluoromethyl)phenyl]butanamide;3-(4-methoxyphenyl)-3-methylbutanamide;3-(6-methoxy-2-pyridinyl)butanamide;3-(6-methoxy-3-pyridinyl)butanamide;3-(6-methyl-2-pyridinyl)butanamide;3-(6-methyl-3-pyridinyl)butanamide;3-pyridin-2-ylbutanamide;3-pyridin-3-ylbutanamide;3-[6-(trifluoromethyl)-3-pyridinyl]butanamide.
| Compound Name | 3-(3-fluoro-2-pyridinyl)butanamide;3-hydroxy-3-[3-(trifluoromethyl)phenyl]butanamide;3-(4-methoxyphenyl)-3-methylbutanamide;3-(6-methoxy-2-pyridinyl)butanamide;3-(6-methoxy-3-pyridinyl)butanamide;3-(6-methyl-2-pyridinyl)butanamide;3-(6-methyl-3-pyridinyl)butanamide;3-pyridin-2-ylbutanamide;3-pyridin-3-ylbutanamide;3-[6-(trifluoromethyl)-3-pyridinyl]butanamide |
|---|---|
| PubChem CID | 161227008 |
| Molecular Formula | C100H131F7N18O14 |
| Molecular Weight | 1942.25 g/mol |
| Exact Mass | 1941.00 |
| IUPAC Name | 3-(3-fluoro-2-pyridinyl)butanamide;3-hydroxy-3-[3-(trifluoromethyl)phenyl]butanamide;3-(4-methoxyphenyl)-3-methylbutanamide;3-(6-methoxy-2-pyridinyl)butanamide;3-(6-methoxy-3-pyridinyl)butanamide;3-(6-methyl-2-pyridinyl)butanamide;3-(6-methyl-3-pyridinyl)butanamide;3-pyridin-2-ylbutanamide;3-pyridin-3-ylbutanamide;3-[6-(trifluoromethyl)-3-pyridinyl]butanamide |
| SMILES | CC(CC(N)=O)c1ccc(C(F)(F)F)nc1.CC(CC(N)=O)c1ccccn1.CC(CC(N)=O)c1cccnc1.CC(CC(N)=O)c1ncccc1F.CC(O)(CC(N)=O)c1cccc(C(F)(F)F)c1.COc1ccc(C(C)(C)CC(N)=O)cc1.COc1ccc(C(C)CC(N)=O)cn1.COc1cccc(C(C)CC(N)=O)n1.Cc1ccc(C(C)CC(N)=O)cn1.Cc1cccc(C(C)CC(N)=O)n1 |
| InChI | InChI=1S/C12H17NO2.C11H12F3NO2.C10H11F3N2O.2C10H14N2O2.2C10H14N2O.C9H11FN2O.2C9H12N2O/c1-12(2,8-11(13)14)9-4-6-10(15-3)7-5-9;1-10(17,6-9(15)16)7-3-2-4-8(5-7)11(12,13)14;1-6(4-9(14)16)7-2-3-8(15-5-7)10(11,12)13;1-7(5-9(11)13)8-3-4-10(14-2)12-6-8;1-7(6-9(11)13)8-4-3-5-10(12-8)14-2;1-7(5-10(11)13)9-4-3-8(2)12-6-9;1-7(6-10(11)13)9-5-3-4-8(2)12-9;1-6(5-8(11)13)9-7(10)3-2-4-12-9;1-7(5-9(10)12)8-3-2-4-11-6-8;1-7(6-9(10)12)8-4-2-3-5-11-8/h4-7H,8H2,1-3H3,(H2,13,14);2-5,17H,6H2,1H3,(H2,15,16);2-3,5-6H,4H2,1H3,(H2,14,16);3-4,6-7H,5H2,1-2H3,(H2,11,13);3-5,7H,6H2,1-2H3,(H2,11,13);3-4,6-7H,5H2,1-2H3,(H2,11,13);3-5,7H,6H2,1-2H3,(H2,11,13);2-4,6H,5H2,1H3,(H2,11,13);2-4,6-7H,5H2,1H3,(H2,10,12);2-5,7H,6H2,1H3,(H2,10,12) |
| InChIKey | UYGKWAVTKZFUMY-UHFFFAOYSA-N |
| XLogP | 13.91 |
| TPSA | 581.94 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 139 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1942.25 |
| LogP ≤ 5 | 13.91 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 22 |