About N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide
N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide (PubChem CID 90349017) has the molecular formula C31H35N5O4
and a molecular weight of 541.65 g/mol. Its IUPAC name is N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide.
Molecular Properties
| Compound Name | N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide |
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| PubChem CID | 90349017 |
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| Molecular Formula | C31H35N5O4 |
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| Molecular Weight | 541.65 g/mol |
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| Exact Mass | 541.27 |
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| IUPAC Name | N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide |
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| SMILES | CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OC(C)C)cc21 |
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| InChI | InChI=1S/C31H35N5O4/c1-20(2)39-28-19-26-24(12-16-36(26)31(38)32-3)17-27(28)40-25-9-13-33-29(18-25)34-30(37)23-7-5-21(6-8-23)22-10-14-35(4)15-11-22/h5-9,12-13,16-20,22H,10-11,14-15H2,1-4H3,(H,32,38)(H,33,34,37) |
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| InChIKey | PKOYSORXPYEVDX-UHFFFAOYSA-N |
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| XLogP | 5.86 |
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| TPSA | 97.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 541.65 |
| LogP ≤ 5 | 5.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The IUPAC name of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide (CID 90349017) is N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The canonical SMILES for N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OC(C)C)cc21.
What is the InChIKey of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
The InChIKey is PKOYSORXPYEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O4/c1-20(2)39-28-19-26-24(12-16-36(26)31(38)32-3)17-27(28)40-25-9-13-33-29(18-25)34-30(37)23-7-5-21(6-8-23)22-10-14-35(4)15-11-22/h5-9,12-13,16-20,22H,10-11,14-15H2,1-4H3,(H,32,38)(H,33,34,37).
What are the key properties of N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide?
N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-[[4-(1-methylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]-6-propan-2-yloxyindole-1-carboxamide is sourced from PubChem (CID 90349017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).