About 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 78323433) has the molecular formula C31H35N5O5
and a molecular weight of 557.65 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide.
Molecular Properties
| Compound Name | 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide |
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| PubChem CID | 78323433 |
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| Molecular Formula | C31H35N5O5 |
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| Molecular Weight | 557.65 g/mol |
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| Exact Mass | 557.26 |
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| IUPAC Name | 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide |
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| SMILES | CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OCCOC)cc21 |
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| InChI | InChI=1S/C31H35N5O5/c1-32-31(38)36-15-11-24-18-28(27(20-26(24)36)40-17-16-39-3)41-25-8-12-33-29(19-25)34-30(37)23-6-4-21(5-7-23)22-9-13-35(2)14-10-22/h4-8,11-12,15,18-20,22H,9-10,13-14,16-17H2,1-3H3,(H,32,38)(H,33,34,37) |
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| InChIKey | PVPYYKGOLJMILD-UHFFFAOYSA-N |
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| XLogP | 5.10 |
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| TPSA | 106.95 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 557.65 |
| LogP ≤ 5 | 5.10 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide (CID 78323433) is 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OCCOC)cc21.
What is the InChIKey of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is PVPYYKGOLJMILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O5/c1-32-31(38)36-15-11-24-18-28(27(20-26(24)36)40-17-16-39-3)41-25-8-12-33-29(19-25)34-30(37)23-6-4-21(5-7-23)22-9-13-35(2)14-10-22/h4-8,11-12,15,18-20,22H,9-10,13-14,16-17H2,1-3H3,(H,32,38)(H,33,34,37).
What are the key properties of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 557.65 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 78323433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).