N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide
TL;DR: N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide (CAS 400079-55-2) is a chemical compound with molecular formula C21H18N4O and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-pyridin-3-ylpyrimidine-5-carboxamide
Also Known As: 2J-560S, N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide, N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-pyridin-3-ylpyrimidine-5-carboxamide, N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-(pyridin-3-yl)pyrimidine-5-carboxamide
| Molecular Formula | C21H18N4O |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.3472 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.14807 |
| Heavy Atoms | 26 |
| Complexity | 960.30615 |
Chemical Identifiers
| CAS Number | 400079-55-2 |
|---|---|
| SMILES | CC(C)(C#C)NC(=O)C1=CN=C(N=C1C2=CC=CC=C2)C3=CN=CC=C3 |
Product Overview
N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide (CAS 400079-55-2), with molecular formula C21H18N4O and molecular weight 342.15 g/mol. IUPAC: N-(2-methylbut-3-yn-2-yl)-4-phenyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
Chemical Property Profile of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide
Property Insights of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide
The XLogP value of 3.3472 indicates that N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide. Following Lipinski's Rule of Five, N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide has 1 hydrogen bond donor(s) and 4 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 N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide?
The CAS number of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide is 400079-55-2.
What is the molecular formula of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide?
The molecular formula of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide is C21H18N4O.
What is the molecular weight of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide?
The molecular weight of N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide is 342.15 g/mol.
Where can I buy N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide?
You can request a quote for N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dimethyl-2-propynyl)-4-phenyl-2-(3-pyridinyl)-5-pyrimidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.