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N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide
TL;DR: N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide (CAS 545368-01-2) is a chemical compound with molecular formula C12H14N4O and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
Also Known As: ChemDiv2_001344, N-(3-Imidazol-1-yl-propyl)-isonicotinamide, N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide, N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide, BAS 05399143
| Molecular Formula | C12H14N4O |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 1.0982 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.11676 |
| Heavy Atoms | 17 |
| Complexity | 452.62256 |
Chemical Identifiers
| CAS Number | 545368-01-2 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NCCCN2C=CN=C2 |
Product Overview
N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide (CAS 545368-01-2), with molecular formula C12H14N4O and molecular weight 230.12 g/mol. IUPAC: N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
Chemical Property Profile of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide
Property Insights of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide
The XLogP value of 1.0982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide 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
Frequently Asked Questions
What is the CAS number of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide?
The CAS number of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide is 545368-01-2.
What is the molecular formula of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide?
The molecular formula of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide is C12H14N4O.
What is the molecular weight of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide?
The molecular weight of N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide is 230.12 g/mol.
Where can I buy N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide?
You can request a quote for N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1H-imidazol-1-yl)propyl]isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.