About 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 54316721) has the molecular formula C27H26N6O6S
and a molecular weight of 562.61 g/mol. Its IUPAC name is 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 54316721 |
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| Molecular Formula | C27H26N6O6S |
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| Molecular Weight | 562.61 g/mol |
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| Exact Mass | 562.16 |
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| IUPAC Name | 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide |
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| SMILES | C=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C(=O)NC)c3)nc(OC)c2Oc2ccccc2OC)nc1 |
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| InChI | InChI=1S/C27H26N6O6S/c1-16(2)18-10-11-22(30-15-18)40(35,36)33-25-23(39-21-9-7-6-8-20(21)37-4)27(38-5)32-24(31-25)17-12-13-29-19(14-17)26(34)28-3/h6-15H,1H2,2-5H3,(H,28,34)(H,31,32,33) |
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| InChIKey | SOSPWSRQOHZEMS-UHFFFAOYSA-N |
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| XLogP | 3.94 |
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| TPSA | 154.52 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 562.61 |
| LogP ≤ 5 | 3.94 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide (CID 54316721) is 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide is C=C(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccnc(C(=O)NC)c3)nc(OC)c2Oc2ccccc2OC)nc1.
What is the InChIKey of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is SOSPWSRQOHZEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O6S/c1-16(2)18-10-11-22(30-15-18)40(35,36)33-25-23(39-21-9-7-6-8-20(21)37-4)27(38-5)32-24(31-25)17-12-13-29-19(14-17)26(34)28-3/h6-15H,1H2,2-5H3,(H,28,34)(H,31,32,33).
What are the key properties of 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide?
4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 562.61 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-prop-1-en-2-yl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 54316721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).