![(E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide structure](/static/products/847/847365-72-4.png)
(E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide
TL;DR: (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide (CAS 847365-72-4) is a chemical compound with molecular formula C23H20N6O2 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-cyano-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)pyridine-4-carboxamide
Also Known As: (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide, N-[(2E)-3-cyano-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]pyridine-4-carboxamide
| Molecular Formula | C23H20N6O2 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.84718 |
| Topological Polar Surface Area | 105.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.16476 |
| Heavy Atoms | 31 |
| Complexity | 1444.9265 |
Chemical Identifiers
| CAS Number | 847365-72-4 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC=NC=C3)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
(E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide (CAS 847365-72-4), with molecular formula C23H20N6O2 and molecular weight 412.16 g/mol. IUPAC: N-(5-cyano-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)pyridine-4-carboxamide.
Chemical Property Profile of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide
Property Insights of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide
The XLogP value of 2.84718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide. The TPSA of 105.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide. Following Lipinski's Rule of Five, (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide 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 (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide?
The CAS number of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide is 847365-72-4.
What is the molecular formula of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide?
The molecular formula of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide is C23H20N6O2.
What is the molecular weight of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide?
The molecular weight of (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide is 412.16 g/mol.
Where can I buy (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide?
You can request a quote for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-cyano-5-oxo-1-pentyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.