About 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide (PubChem CID 58834953) has the molecular formula C33H39N5O4
and a molecular weight of 569.71 g/mol. Its IUPAC name is 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide.
Molecular Properties
| Compound Name | 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide |
|---|
| PubChem CID | 58834953 |
|---|
| Molecular Formula | C33H39N5O4 |
|---|
| Molecular Weight | 569.71 g/mol |
|---|
| Exact Mass | 569.30 |
|---|
| IUPAC Name | 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide |
|---|
| SMILES | Cc1nc(Oc2ccc(C(N)=O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 |
|---|
| InChI | InChI=1S/C33H39N5O4/c1-23-26(9-12-31(35-23)42-29-10-7-25(8-11-29)32(34)39)21-36-17-13-28(14-18-36)38-30(24-5-3-2-4-6-24)22-37(33(38)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H2,34,39)/t30-/m0/s1 |
|---|
| InChIKey | OKRZBWWJVVVKHT-PMERELPUSA-N |
|---|
| XLogP | 4.90 |
|---|
| TPSA | 101.23 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 569.71 |
| LogP ≤ 5 | 4.90 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide 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 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide (CID 58834953) is 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide is Cc1nc(Oc2ccc(C(N)=O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The InChIKey is OKRZBWWJVVVKHT-PMERELPUSA-N. The full InChI is InChI=1S/C33H39N5O4/c1-23-26(9-12-31(35-23)42-29-10-7-25(8-11-29)32(34)39)21-36-17-13-28(14-18-36)38-30(24-5-3-2-4-6-24)22-37(33(38)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H2,34,39)/t30-/m0/s1.
What are the key properties of 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 569.71 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58834953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).