About N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide
N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide (PubChem CID 146632626) has the molecular formula C25H29N5O5
and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide.
Molecular Properties
| Compound Name | N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide |
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| PubChem CID | 146632626 |
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| Molecular Formula | C25H29N5O5 |
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| Molecular Weight | 479.54 g/mol |
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| Exact Mass | 479.22 |
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| IUPAC Name | N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide |
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| SMILES | COc1ccc(-c2cc(OCc3c(C)cccc3N(C=O)/N=N\N(C)C)ccc2OC)c(OC)n1 |
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| InChI | InChI=1S/C25H29N5O5/c1-17-8-7-9-22(30(16-31)28-27-29(2)3)21(17)15-35-18-10-12-23(32-4)20(14-18)19-11-13-24(33-5)26-25(19)34-6/h7-14,16H,15H2,1-6H3/b28-27- |
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| InChIKey | CUPQPCIMZLJDRH-DQSJHHFOSA-N |
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| XLogP | 4.47 |
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| TPSA | 98.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 35 |
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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 | 479.54 |
| LogP ≤ 5 | 4.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide?
The IUPAC name of N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide (CID 146632626) is N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide.
What is the SMILES notation for N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide?
The canonical SMILES for N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide is COc1ccc(-c2cc(OCc3c(C)cccc3N(C=O)/N=N\N(C)C)ccc2OC)c(OC)n1.
What is the InChIKey of N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide?
The InChIKey is CUPQPCIMZLJDRH-DQSJHHFOSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-17-8-7-9-22(30(16-31)28-27-29(2)3)21(17)15-35-18-10-12-23(32-4)20(14-18)19-11-13-24(33-5)26-25(19)34-6/h7-14,16H,15H2,1-6H3/b28-27-.
What are the key properties of N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide?
N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide has a molecular weight of 479.54 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2,6-dimethoxy-3-pyridinyl)-4-methoxyphenoxy]methyl]-3-methylphenyl]-N-[(Z)-dimethylaminodiazenyl]formamide is sourced from PubChem (CID 146632626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).