Ethyl 2-(isonicotinoylamino)nicotinate
TL;DR: Ethyl 2-(isonicotinoylamino)nicotinate (CAS 41803-53-6) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(pyridine-4-carbonylamino)pyridine-3-carboxylate
Also Known As: ethyl 2-(isonicotinoylamino)nicotinate, 2-isonicotinamidonicotinic acid ethyl ester, ethyl 2-(pyridine-4-carbonylamino)pyridine-3-carboxylate, AJ-333/09216060, ethyl 2-(pyridin-4-ylcarbonylamino)pyridine-3-carboxylate
| Molecular Formula | C14H13N3O3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 1.9056 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.0957 |
| Heavy Atoms | 20 |
| Complexity | 614.071 |
Chemical Identifiers
| CAS Number | 41803-53-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CC=C1)NC(=O)C2=CC=NC=C2 |
Product Overview
Ethyl 2-(isonicotinoylamino)nicotinate (CAS 41803-53-6), with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol. IUPAC: ethyl 2-(pyridine-4-carbonylamino)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2-(isonicotinoylamino)nicotinate
Property Insights of Ethyl 2-(isonicotinoylamino)nicotinate
The XLogP value of 1.9056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(isonicotinoylamino)nicotinate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(isonicotinoylamino)nicotinate. Following Lipinski's Rule of Five, Ethyl 2-(isonicotinoylamino)nicotinate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-(isonicotinoylamino)nicotinate?
The CAS number of Ethyl 2-(isonicotinoylamino)nicotinate is 41803-53-6.
What is the molecular formula of Ethyl 2-(isonicotinoylamino)nicotinate?
The molecular formula of Ethyl 2-(isonicotinoylamino)nicotinate is C14H13N3O3.
What is the molecular weight of Ethyl 2-(isonicotinoylamino)nicotinate?
The molecular weight of Ethyl 2-(isonicotinoylamino)nicotinate is 271.10 g/mol.
Where can I buy Ethyl 2-(isonicotinoylamino)nicotinate?
You can request a quote for Ethyl 2-(isonicotinoylamino)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(isonicotinoylamino)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(isonicotinoylamino)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.