N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
TL;DR: N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide (CAS 77694-36-1) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
Also Known As: N-(5,5-Dimethyl-2-oxotetrahydro-3-furyl)isonicotinamide, N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide, ISONICOTINAMIDE, N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-, N-(5,5-Dimethyl-2-oxotetrahydrofuran-3-yl)isonicotinamide, RefChem:1091336
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 77694-36-1 |
|---|---|
| SMILES | CC1(CC(C(=O)O1)NC(=O)C2=CC=NC=C2)C |
| InChIKey | OHAKBSQJLKNLOY-UHFFFAOYSA-N |
Product Overview
N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide (CAS 77694-36-1), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide.
Chemical Property Profile of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
Property Insights of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide. Following Lipinski's Rule of Five, N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide has 1 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-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide?
The CAS number of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide is 77694-36-1.
What is the molecular formula of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide?
The molecular formula of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide is C12H14N2O3.
What is the molecular weight of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide?
The molecular weight of N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide is 234.10 g/mol.
Where can I buy N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide?
You can request a quote for N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.