TL;DR: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide (CAS 113874-78-5) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide
Also Known As: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide, (E)-N'-((3-methylthiophen-2-yl)methylene)nicotinohydrazide, N'-[(E)-(3-methyl-2-thienyl)methylidene]nicotinohydrazide, N'-[(E)-(3-methylthiophen-2-yl)methylidene]pyridine-3-carbohydrazide, Nicotinic acid [1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C12H11N3OS |
| Molecular Weight | 245.06229 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.06229 Da |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
| SMILES | CC1=C(SC=C1)/C=N/NC(=O)C2=CN=CC=C2 |
| InChIKey | SBCAAOSEXRZFNR-RIYZIHGNSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide. Following Lipinski's Rule of Five, N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide has 1 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 N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide is 113874-78-5.
The molecular formula of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide is C12H11N3OS.
The molecular weight of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide is 245.06229 g/mol.
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