TL;DR: 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)- (CAS 130688-27-6) is a chemical compound with molecular formula C13H12N4O and molecular weight 240.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-methoxyanilino)pyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)-, 2-Amino-4-((4-methoxyphenyl)amino)-3-pyridinecarbonitrile, 2-amino-4-(4-methoxyanilino)pyridine-3-carbonitrile, BRN 4319659
| Molecular Formula | C13H12N4O |
| Molecular Weight | 240.1011 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.1011 Da |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
| SMILES | COC1=CC=C(C=C1)NC2=C(C(=NC=C2)N)C#N |
| InChIKey | CTZFBISBQSPPBF-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)-. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)-. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)- is 130688-27-6.
The molecular formula of 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)- is C13H12N4O.
The molecular weight of 3-Pyridinecarbonitrile, 2-amino-4-((4-methoxyphenyl)amino)- is 240.1011 g/mol.
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