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N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
TL;DR: N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide (CAS 332389-66-9) is a chemical compound with molecular formula C14H10N4OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
Also Known As: BAS 01555561, N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide, N-((2-cyanophenyl)carbamothioyl)nicotinamide, 1-(2-Cyano-phenyl)-3-(pyridine-3-carbonyl)-thiourea
| Molecular Formula | C14H10N4OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.05753 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 332389-66-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=S)NC(=O)C2=CN=CC=C2 |
| InChIKey | JMJLEBWTWRSAQN-UHFFFAOYSA-N |
Product Overview
N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide (CAS 332389-66-9), with molecular formula C14H10N4OS and molecular weight 282.06 g/mol. IUPAC: N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
Property Insights of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide. Following Lipinski's Rule of Five, N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
The CAS number of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide is 332389-66-9.
What is the molecular formula of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
The molecular formula of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide is C14H10N4OS.
What is the molecular weight of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
The molecular weight of N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide is 282.06 g/mol.
Where can I buy N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
You can request a quote for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-cyanophenyl)carbamothioyl]pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.