About (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 44554326) has the molecular formula C23H22F3N3O3
and a molecular weight of 445.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide.
Molecular Properties
| Compound Name | (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide |
|---|
| PubChem CID | 44554326 |
|---|
| Molecular Formula | C23H22F3N3O3 |
|---|
| Molecular Weight | 445.44 g/mol |
|---|
| Exact Mass | 445.16 |
|---|
| IUPAC Name | (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide |
|---|
| SMILES | O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccccc3C(F)(F)F)C2)n1)NO |
|---|
| InChI | InChI=1S/C23H22F3N3O3/c24-23(25,26)20-9-2-1-8-19(20)16-5-4-14-29(15-16)22(31)13-11-18-7-3-6-17(27-18)10-12-21(30)28-32/h1-3,6-13,16,32H,4-5,14-15H2,(H,28,30)/b12-10+,13-11+ |
|---|
| InChIKey | YNQMFVPVGQCLFX-DCIPZJNNSA-N |
|---|
| XLogP | 4.04 |
|---|
| TPSA | 82.53 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 445.44 |
| LogP ≤ 5 | 4.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide 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 (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 44554326) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccccc3C(F)(F)F)C2)n1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is YNQMFVPVGQCLFX-DCIPZJNNSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c24-23(25,26)20-9-2-1-8-19(20)16-5-4-14-29(15-16)22(31)13-11-18-7-3-6-17(27-18)10-12-21(30)28-32/h1-3,6-13,16,32H,4-5,14-15H2,(H,28,30)/b12-10+,13-11+.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 445.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 44554326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).