4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 62321-91-9) is a chemical compound with molecular formula C8H9N3O and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 4-(dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 4-(dimethylamino)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile, 3-cyano-4-dimethylamino-2-pyridone, dimethylaminooxodihydropyridinecarbonitrile
| Molecular Formula | C8H9N3O |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 0.31258 |
| Topological Polar Surface Area | 59.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.07455 |
| Heavy Atoms | 12 |
| Complexity | 372.62476 |
Chemical Identifiers
| CAS Number | 62321-91-9 |
|---|---|
| SMILES | CN(C)C1=C(C(=O)NC=C1)C#N |
Product Overview
4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 62321-91-9), with molecular formula C8H9N3O and molecular weight 163.07 g/mol. IUPAC: 4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 0.31258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 59.89 Ų, 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile has 1 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 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile is 62321-91-9.
What is the molecular formula of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile is C8H9N3O.
What is the molecular weight of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile is 163.07 g/mol.
Where can I buy 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.