TL;DR: Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide (CAS 15806-14-1) is a chemical compound with molecular formula C16H17ClN4O2 and molecular weight 332.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-chlorophenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Also Known As: P 1249, ISONICOTINIC ACID, 2-(2-((o-CHLOROBENZYL)CARBAMOYL)ETHYL)HYDRAZIDE, ISONICOTINIC ACID 2-(2-((O-CHLOROBENZYL)CARBAMOYL)ETHYL)HYDRAZIDE, N-[(2-Chlorophenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazin-1-yl]propanamide, N-[(2-chlorophenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
| Molecular Formula | C16H17ClN4O2 |
| Molecular Weight | 332.104 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.104 Da |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
| SMILES | C1=CC=C(C(=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2)Cl |
| InChIKey | QQZPSUBNXOTVCY-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide. Following Lipinski's Rule of Five, Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide is 15806-14-1.
The molecular formula of Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide is C16H17ClN4O2.
The molecular weight of Isonicotinic acid, 2-(2-((o-chlorobenzyl)carbamoyl)ethyl)hydrazide is 332.104 g/mol.
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