About N-methyl-4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
N-methyl-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 58835000) has the molecular formula C34H41N5O4
and a molecular weight of 583.73 g/mol. Its IUPAC name is N-methyl-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 | N-methyl-4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide |
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| PubChem CID | 58835000 |
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| Molecular Formula | C34H41N5O4 |
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| Molecular Weight | 583.73 g/mol |
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| Exact Mass | 583.32 |
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| IUPAC Name | N-methyl-4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide |
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| SMILES | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1 |
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| InChI | InChI=1S/C34H41N5O4/c1-24-27(10-13-32(36-24)43-30-11-8-26(9-12-30)33(40)35-2)22-37-18-14-29(15-19-37)39-31(25-6-4-3-5-7-25)23-38(34(39)41)28-16-20-42-21-17-28/h3-13,28-29,31H,14-23H2,1-2H3,(H,35,40)/t31-/m0/s1 |
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| InChIKey | GXAULSHQHOUJMH-HKBQPEDESA-N |
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| XLogP | 5.16 |
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| TPSA | 87.24 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 583.73 |
| LogP ≤ 5 | 5.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-methyl-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
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Frequently Asked Questions
What is the IUPAC name of N-methyl-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 N-methyl-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 58835000) is N-methyl-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 N-methyl-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 N-methyl-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 CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1.
What is the InChIKey of N-methyl-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 GXAULSHQHOUJMH-HKBQPEDESA-N. The full InChI is InChI=1S/C34H41N5O4/c1-24-27(10-13-32(36-24)43-30-11-8-26(9-12-30)33(40)35-2)22-37-18-14-29(15-19-37)39-31(25-6-4-3-5-7-25)23-38(34(39)41)28-16-20-42-21-17-28/h3-13,28-29,31H,14-23H2,1-2H3,(H,35,40)/t31-/m0/s1.
What are the key properties of N-methyl-4-[[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
N-methyl-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 583.73 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 58835000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).