![1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide structure](/static/products/116/1164539-46-1.png)
1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
TL;DR: 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide (CAS 1164539-46-1) is a chemical compound with molecular formula C23H22N6O4 and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide, (E)-1-(3-(2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-(3-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-(3-{(E)-2-Cyano-2-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-piperidine-4-carboxylic acid amide
| Molecular Formula | C23H22N6O4 |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 1.21258 |
| Topological Polar Surface Area | 146.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.17026 |
| Heavy Atoms | 33 |
| Complexity | 1310.9604 |
Chemical Identifiers
| CAS Number | 1164539-46-1 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)NCC4=CC=CO4 |
Product Overview
1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide (CAS 1164539-46-1), with molecular formula C23H22N6O4 and molecular weight 446.17 g/mol. IUPAC: 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Property Insights of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
The XLogP value of 1.21258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide. The TPSA of 146.73 Ų indicates high polarity, suggesting 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide has 2 hydrogen bond donor(s) and 7 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 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide?
The CAS number of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide is 1164539-46-1.
What is the molecular formula of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide?
The molecular formula of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide is C23H22N6O4.
What is the molecular weight of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide?
The molecular weight of 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide is 446.17 g/mol.
Where can I buy 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide?
You can request a quote for 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[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 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.