N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
TL;DR: N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide (CAS 1030389-81-1) is a chemical compound with molecular formula C14H14N3O3+ and molecular weight 272.10352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
Also Known As: BAS 01248401, 1-[(4-Methyl-3-nitro-phenylcarbamoyl)-methyl]-pyridinium, N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
Technical Specifications
| Molecular Formula | C14H14N3O3+ |
| Molecular Weight | 272.10352 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.10352 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | KNNQMVLHSGWILU-UHFFFAOYSA-O |
Chemical Property Profile of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
Property Insights of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide. Following Lipinski's Rule of Five, N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide?
The CAS number of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide is 1030389-81-1.
What is the molecular formula of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide?
The molecular formula of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide is C14H14N3O3+.
What is the molecular weight of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide?
The molecular weight of N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide is 272.10352 g/mol.
Where can I buy N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide?
You can request a quote for N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.