N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide (CAS 332116-99-1) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
Also Known As: N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide, N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide, BAS 01129866, N-(3-pyridyl)-1,3-benzodioxole-5-carboxamide, Benzo[1,3]dioxole-5-carboxylic acid pyridin-3-ylamide
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 332116-99-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CN=CC=C3 |
| InChIKey | IVVPXPMIOXBGHM-UHFFFAOYSA-N |
Product Overview
N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide (CAS 332116-99-1), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(3-pyridinyl)-1,3-benzodioxole-5-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-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide is 332116-99-1.
What is the molecular formula of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide is C13H10N2O3.
What is the molecular weight of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide is 242.07 g/mol.
Where can I buy N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-pyridinyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.