About N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline (PubChem CID 92954270) has the molecular formula C27H33N5O
and a molecular weight of 443.60 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline.
Molecular Properties
| Compound Name | N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline |
|---|
| PubChem CID | 92954270 |
|---|
| Molecular Formula | C27H33N5O |
|---|
| Molecular Weight | 443.60 g/mol |
|---|
| Exact Mass | 443.27 |
|---|
| IUPAC Name | N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline |
|---|
| SMILES | CCN(CC)c1ccc(/C=C2\CCC(/C=N\N=C\c3cccnc3)=C2N2CCOCC2)cc1 |
|---|
| InChI | InChI=1S/C27H33N5O/c1-3-31(4-2)26-11-7-22(8-12-26)18-24-9-10-25(27(24)32-14-16-33-17-15-32)21-30-29-20-23-6-5-13-28-19-23/h5-8,11-13,18-21H,3-4,9-10,14-17H2,1-2H3/b24-18+,29-20+,30-21- |
|---|
| InChIKey | IFUPFELSZJZFLF-PJVHUAFJSA-N |
|---|
| XLogP | 4.80 |
|---|
| TPSA | 53.32 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 443.60 |
| LogP ≤ 5 | 4.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline 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 N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline (CID 92954270) is N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline is CCN(CC)c1ccc(/C=C2\CCC(/C=N\N=C\c3cccnc3)=C2N2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline?
The InChIKey is IFUPFELSZJZFLF-PJVHUAFJSA-N. The full InChI is InChI=1S/C27H33N5O/c1-3-31(4-2)26-11-7-22(8-12-26)18-24-9-10-25(27(24)32-14-16-33-17-15-32)21-30-29-20-23-6-5-13-28-19-23/h5-8,11-13,18-21H,3-4,9-10,14-17H2,1-2H3/b24-18+,29-20+,30-21-.
What are the key properties of N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline?
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline has a molecular weight of 443.60 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline is sourced from PubChem (CID 92954270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).