About 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide
2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide (PubChem CID 69069753) has the molecular formula C20H20ClFN6O3
and a molecular weight of 446.87 g/mol. Its IUPAC name is 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide.
Molecular Properties
| Compound Name | 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide |
|---|
| PubChem CID | 69069753 |
|---|
| Molecular Formula | C20H20ClFN6O3 |
|---|
| Molecular Weight | 446.87 g/mol |
|---|
| Exact Mass | 446.13 |
|---|
| IUPAC Name | 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide |
|---|
| SMILES | COc1nc(NCCc2c(F)cccc2Cl)cc(-c2ccc(=O)n(CC(=O)NN)c2)n1 |
|---|
| InChI | InChI=1S/C20H20ClFN6O3/c1-31-20-25-16(12-5-6-19(30)28(10-12)11-18(29)27-23)9-17(26-20)24-8-7-13-14(21)3-2-4-15(13)22/h2-6,9-10H,7-8,11,23H2,1H3,(H,27,29)(H,24,25,26) |
|---|
| InChIKey | CEOYHELFPOBVNW-UHFFFAOYSA-N |
|---|
| XLogP | 1.75 |
|---|
| TPSA | 124.16 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 446.87 |
| LogP ≤ 5 | 1.75 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
The IUPAC name of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide (CID 69069753) is 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide is COc1nc(NCCc2c(F)cccc2Cl)cc(-c2ccc(=O)n(CC(=O)NN)c2)n1.
What is the InChIKey of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
The InChIKey is CEOYHELFPOBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c1-31-20-25-16(12-5-6-19(30)28(10-12)11-18(29)27-23)9-17(26-20)24-8-7-13-14(21)3-2-4-15(13)22/h2-6,9-10H,7-8,11,23H2,1H3,(H,27,29)(H,24,25,26).
What are the key properties of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide has a molecular weight of 446.87 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide is sourced from PubChem (CID 69069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).