About 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 90680825) has the molecular formula C28H34N4O4
and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide |
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| PubChem CID | 90680825 |
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| Molecular Formula | C28H34N4O4 |
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| Molecular Weight | 490.60 g/mol |
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| Exact Mass | 490.26 |
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| IUPAC Name | 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide |
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| SMILES | COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)NC3CCN(C)CC3)nc2)c(C)c1 |
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| InChI | InChI=1S/C28H34N4O4/c1-20-17-24(35-16-15-34-3)8-9-25(20)21-6-7-23(30-18-21)19-36-28-26(5-4-12-29-28)27(33)31-22-10-13-32(2)14-11-22/h4-9,12,17-18,22H,10-11,13-16,19H2,1-3H3,(H,31,33) |
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| InChIKey | PSEFPLQRRLXRCB-UHFFFAOYSA-N |
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| XLogP | 3.88 |
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| TPSA | 85.81 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 490.60 |
| LogP ≤ 5 | 3.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide (CID 90680825) is 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)NC3CCN(C)CC3)nc2)c(C)c1.
What is the InChIKey of 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is PSEFPLQRRLXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-20-17-24(35-16-15-34-3)8-9-25(20)21-6-7-23(30-18-21)19-36-28-26(5-4-12-29-28)27(33)31-22-10-13-32(2)14-11-22/h4-9,12,17-18,22H,10-11,13-16,19H2,1-3H3,(H,31,33).
What are the key properties of 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide?
2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(2-methoxyethoxy)-2-methylphenyl]-2-pyridinyl]methoxy]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 90680825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).