2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate
TL;DR: 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate (CAS 69451-67-8) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
Also Known As: 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate, 2-((1-Methylethyl)(3-pyridinylcarbonyl)amino)ethyl 3-pyridinecarboxylate, 3-Pyridinecarboxylic acid, 2-(1-(methylethyl)(3-pyridinylcarbonyl)amino)ethyl ester, 2-[(Propan-2-yl)(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate, 2-[N-(Propan-2-yl)pyridine-3-carboxamido]ethyl pyridine-3-carboxylate
| Molecular Formula | C17H19N3O3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 2.1842 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.14264 |
| Heavy Atoms | 23 |
| Complexity | 644.6479 |
Chemical Identifiers
| CAS Number | 69451-67-8 |
|---|---|
| SMILES | CC(C)N(CCOC(=O)C1=CN=CC=C1)C(=O)C2=CN=CC=C2 |
Product Overview
2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate (CAS 69451-67-8), with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol. IUPAC: 2-[propan-2-yl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.
Chemical Property Profile of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate
Property Insights of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate
The XLogP value of 2.1842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate. The TPSA of 72.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate. Following Lipinski's Rule of Five, 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate has 0 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 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate?
The CAS number of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate is 69451-67-8.
What is the molecular formula of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate?
The molecular formula of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate is C17H19N3O3.
What is the molecular weight of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate?
The molecular weight of 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate is 313.14 g/mol.
Where can I buy 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate?
You can request a quote for 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-Isopropyl-N-nicotinoylamino)ethyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.