TL;DR: VU0495457-1 (CAS 1004393-51-4) is a chemical compound with molecular formula C21H16F3N3O3 and molecular weight 415.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-carbamoylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: VU0495457-1, F2744-1296, N-(4-carbamoylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, N-(4-carbamoylphenyl)-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide, N-(4-carbamoylphenyl)-6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carboxamide
| Molecular Formula | C21H16F3N3O3 |
| Molecular Weight | 415.11438 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.11438 Da |
| Heavy Atoms | 30 |
| Complexity | 740.0 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)N |
| InChIKey | RLYGXYXNKWKPRH-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495457-1. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495457-1. Following Lipinski's Rule of Five, VU0495457-1 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VU0495457-1 is 1004393-51-4.
The molecular formula of VU0495457-1 is C21H16F3N3O3.
The molecular weight of VU0495457-1 is 415.11438 g/mol.
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