About 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one (PubChem CID 67748347) has the molecular formula C34H32N6O4
and a molecular weight of 588.67 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.
Molecular Properties
| Compound Name | 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one |
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| PubChem CID | 67748347 |
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| Molecular Formula | C34H32N6O4 |
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| Molecular Weight | 588.67 g/mol |
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| Exact Mass | 588.25 |
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| IUPAC Name | 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one |
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| SMILES | COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1 |
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| InChI | InChI=1S/C12H12N2O2.C12H12N2.C10H8N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10/h3-8H,1-2H3;3-8H,1-2H3;1-6H,(H,11,13)(H,12,14) |
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| InChIKey | XTONEXVBJQPDPM-UHFFFAOYSA-N |
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| XLogP | 5.65 |
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| TPSA | 135.74 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 588.67 |
| LogP ≤ 5 | 5.65 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one (CID 67748347) is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one is COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1.
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
The InChIKey is XTONEXVBJQPDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C12H12N2.C10H8N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10/h3-8H,1-2H3;3-8H,1-2H3;1-6H,(H,11,13)(H,12,14).
What are the key properties of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one?
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one has a molecular weight of 588.67 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 67748347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).