About N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide
N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide (PubChem CID 138606101) has the molecular formula C28H38N6O
and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide.
Molecular Properties
| Compound Name | N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide |
|---|
| PubChem CID | 138606101 |
|---|
| Molecular Formula | C28H38N6O |
|---|
| Molecular Weight | 474.65 g/mol |
|---|
| Exact Mass | 474.31 |
|---|
| IUPAC Name | N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide |
|---|
| SMILES | C=N/C(=C\c1cc(-c2cncc(NC3CCN(C(C)C)CC3)n2)ccc1C)NC(=O)C1CCCC1 |
|---|
| InChI | InChI=1S/C28H38N6O/c1-19(2)34-13-11-24(12-14-34)31-27-18-30-17-25(32-27)22-10-9-20(3)23(15-22)16-26(29-4)33-28(35)21-7-5-6-8-21/h9-10,15-19,21,24H,4-8,11-14H2,1-3H3,(H,31,32)(H,33,35)/b26-16+ |
|---|
| InChIKey | XQNDDIOGXFZRFQ-WGOQTCKBSA-N |
|---|
| XLogP | 5.04 |
|---|
| TPSA | 82.51 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 474.65 |
| LogP ≤ 5 | 5.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide 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-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide?
The IUPAC name of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide (CID 138606101) is N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide is C=N/C(=C\c1cc(-c2cncc(NC3CCN(C(C)C)CC3)n2)ccc1C)NC(=O)C1CCCC1.
What is the InChIKey of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide?
The InChIKey is XQNDDIOGXFZRFQ-WGOQTCKBSA-N. The full InChI is InChI=1S/C28H38N6O/c1-19(2)34-13-11-24(12-14-34)31-27-18-30-17-25(32-27)22-10-9-20(3)23(15-22)16-26(29-4)33-28(35)21-7-5-6-8-21/h9-10,15-19,21,24H,4-8,11-14H2,1-3H3,(H,31,32)(H,33,35)/b26-16+.
What are the key properties of N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide?
N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide has a molecular weight of 474.65 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]phenyl]ethenyl]cyclopentanecarboxamide is sourced from PubChem (CID 138606101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).