TL;DR: 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide (CAS 1164473-21-5) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(5-methylfuran-2-yl)-N-pyridin-4-ylprop-2-enamide
Also Known As: 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide, (2E)-3-(5-Methyl-2-furanyl)-N-4-pyridinyl-2-propenamide, (E)-3-(5-methylfuran-2-yl)-N-pyridin-4-ylprop-2-enamide, 3-(5-methyl-2-furyl)-N-pyridin-4-yl-prop-2-enamide, (2E)-3-(5-methylfuran-2-yl)-N-(pyridin-4-yl)prop-2-enamide
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.08987 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CC1=CC=C(O1)/C=C/C(=O)NC2=CC=NC=C2 |
| InChIKey | KWRYENKPDGHCHL-SNAWJCMRSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide is 1164473-21-5.
The molecular formula of 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide is C13H12N2O2.
The molecular weight of 3-(5-methyl-2-furyl)-N-4-pyridinylacrylamide is 228.08987 g/mol.
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