![N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide structure](/static/products/858/858756-15-7.png)
N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858756-15-7) is a chemical compound with molecular formula C28H26N6O4 and molecular weight 510.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C28H26N6O4 |
|---|---|
| Molecular Weight | 510.20 g/mol |
| LogP | 2.56167 |
| Topological Polar Surface Area | 123.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.20154 |
| Heavy Atoms | 38 |
| Complexity | 1761.6221 |
Chemical Identifiers
| CAS Number | 858756-15-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5)OC |
Product Overview
N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858756-15-7), with molecular formula C28H26N6O4 and molecular weight 510.20 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Property Insights of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 2.56167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. The TPSA of 123.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The CAS number of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 858756-15-7.
What is the molecular formula of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular formula of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C28H26N6O4.
What is the molecular weight of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular weight of N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 510.20 g/mol.
Where can I buy N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
You can request a quote for N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.