5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H20N2O4 — CID 46033058

IUPAC5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(-c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H20N2O4/c1-21-8-7-19-17(20)13-9-12(10-18-11-13)16-14(22-2)5-4-6-15(16)23-3/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyHYWDBARZUOPOFZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.14
Rot. Bonds7

About 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide

5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 46033058) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID46033058
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(-c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H20N2O4/c1-21-8-7-19-17(20)13-9-12(10-18-11-13)16-14(22-2)5-4-6-15(16)23-3/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyHYWDBARZUOPOFZ-UHFFFAOYSA-N
XLogP2.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 46114981
5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 42845893
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 46033058) is 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(-c2c(OC)cccc2OC)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is HYWDBARZUOPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-8-7-19-17(20)13-9-12(10-18-11-13)16-14(22-2)5-4-6-15(16)23-3/h4-6,9-11H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46033058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).