TL;DR: 4-Styryl-nicotinamide (CAS 74039-05-7) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-phenylethenyl)pyridine-3-carboxamide
Also Known As: 4-Styrylnicotinamide, 4-styryl-nicotinamide, Nicotinamide, 4-styryl-, NCIOpen2_004768, 3-Pyridinecarboxamide, 4-(2-phenylethenyl)-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.09496 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09496 Da |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
| SMILES | C1=CC=C(C=C1)C=CC2=C(C=NC=C2)C(=O)N |
| InChIKey | NJYVZKYKDVQUAH-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Styryl-nicotinamide. With a topological polar surface area (TPSA) of 56.0 Ų, 4-Styryl-nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Styryl-nicotinamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Styryl-nicotinamide is 74039-05-7.
The molecular formula of 4-Styryl-nicotinamide is C14H12N2O.
The molecular weight of 4-Styryl-nicotinamide is 224.09496 g/mol.
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