TL;DR: N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide (CAS 163180-50-5) is a chemical compound with molecular formula C14H18N4O4 and molecular weight 306.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl)pyridine-3-carboxamide
Also Known As: NOR 4, N-(4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl)pyridine-3-carboxamide, N-((2Z,3E)-4-Ethyl-2-(hydroxyimino)-5-nitrohex-3-en-1-yl)nicotinamide, N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide, N-[(2Z,3E)-4-ETHYL-2-(HYDROXYIMINO)-5-NITROHEX-3-EN-1-YL]PYRIDINE-3-CARBOXAMIDE
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H18N4O4 |
| Molecular Weight | 306.1328 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.1328 Da |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
| SMILES | CCC(=CC(=NO)CNC(=O)C1=CN=CC=C1)C(C)[N+](=O)[O-] |
| InChIKey | KIWSYRHAAPLJFJ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide. Following Lipinski's Rule of Five, N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide 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 N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide is 163180-50-5.
The molecular formula of N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide is C14H18N4O4.
The molecular weight of N-(4-ethyl-2-hydroxyimino-5-nitro-3-hexen-1-yl)-3-pyridinecarboxamide is 306.1328 g/mol.
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