![(E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide structure](/static/products/799/799771-06-5.png)
(E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
TL;DR: (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 799771-06-5) is a chemical compound with molecular formula C25H24N6O3 and molecular weight 456.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide, 1-{3-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
| Molecular Formula | C25H24N6O3 |
|---|---|
| Molecular Weight | 456.19 g/mol |
| LogP | 1.61958 |
| Topological Polar Surface Area | 133.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.19098 |
| Heavy Atoms | 34 |
| Complexity | 1348.5638 |
Chemical Identifiers
| CAS Number | 799771-06-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NCC4=CC=CC=C4 |
Product Overview
(E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 799771-06-5), with molecular formula C25H24N6O3 and molecular weight 456.19 g/mol. IUPAC: 1-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Property Insights of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
The XLogP value of 1.61958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide. The TPSA of 133.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide. Following Lipinski's Rule of Five, (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has 2 hydrogen bond donor(s) and 6 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)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The CAS number of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 799771-06-5.
What is the molecular formula of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular formula of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is C25H24N6O3.
What is the molecular weight of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular weight of (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 456.19 g/mol.
Where can I buy (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
You can request a quote for (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.