TL;DR: N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide (CAS 113905-50-3) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
Also Known As: BAS 00920949, N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide, Nicotinic acid (1-methyl-1H-pyrrol-2-ylmethylene)-hydrazide, (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)nicotinohydrazide, N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-3-pyridylcarboxamide
| Molecular Formula | C12H12N4O |
| Molecular Weight | 228.1011 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.1011 Da |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
| SMILES | CN1C=CC=C1/C=N/NC(=O)C2=CN=CC=C2 |
| InChIKey | HWSHOKFQVBTFRP-NTEUORMPSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide. With a topological polar surface area (TPSA) of 59.3 Ų, N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide 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 N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide is 113905-50-3.
The molecular formula of N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide is C12H12N4O.
The molecular weight of N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide is 228.1011 g/mol.
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