![2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile structure](/static/products/893/893700-11-3.png)
2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
TL;DR: 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile (CAS 893700-11-3) is a chemical compound with molecular formula C18H11N5O2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dioxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile, 2,5-dioxo-1-(3-pyridinylmethyl)-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarbonitrile, 2,5-dioxo-1-(pyridin-3-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile, 2,5-bis(oxidanylidene)-1-(pyridin-3-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile, 2,5-DIOXO-1-(3-PYRIDYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE
| Molecular Formula | C18H11N5O2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.09128 |
| Heavy Atoms | 25 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 893700-11-3 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=O)N3CC4=CN=CC=C4)C#N)C(=O)N2C=C1 |
| InChIKey | NFMYQEMGKKFYKH-UHFFFAOYSA-N |
Product Overview
2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile (CAS 893700-11-3), with molecular formula C18H11N5O2 and molecular weight 329.09 g/mol. IUPAC: 2,6-dioxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
Property Insights of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile 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 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
The CAS number of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile is 893700-11-3.
What is the molecular formula of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
The molecular formula of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile is C18H11N5O2.
What is the molecular weight of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
The molecular weight of 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile is 329.09 g/mol.
Where can I buy 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
You can request a quote for 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-diketo-1-(3-pyridylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.