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N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide
TL;DR: N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide (CAS 54584-49-5) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(pyridine-3-carbonylamino)thiourea
Also Known As: Maybridge1_000331, 1-nicotinoyl-4-phenyl-3-thiosemicarbazide, 1-phenyl-3-(pyridine-3-carbonylamino)thiourea, BIM-0036217.P001, UPCMLD0ENAT0400-4053:001
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 54584-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2 |
| InChIKey | FYQYTFJUWMJHMW-UHFFFAOYSA-N |
Product Overview
N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide (CAS 54584-49-5), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 1-phenyl-3-(pyridine-3-carbonylamino)thiourea.
Chemical Property Profile of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide
Property Insights of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide. Following Lipinski's Rule of Five, N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide has 3 hydrogen bond donor(s) and 3 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-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide?
The CAS number of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide is 54584-49-5.
What is the molecular formula of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide?
The molecular formula of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide is C13H12N4OS.
What is the molecular weight of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide?
The molecular weight of N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide is 272.07 g/mol.
Where can I buy N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide?
You can request a quote for N-[(Phenylcarbamothioyl)amino]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-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(Phenylcarbamothioyl)amino]pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.