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

C17H21N3O2 — CID 109227724

IUPAC5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2c(C)cccc2C)c1
InChIInChI=1S/C17H21N3O2/c1-12-5-4-6-13(2)16(12)20-15-9-14(10-18-11-15)17(21)19-7-8-22-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,19,21)
InChIKeyXQQNTUJAYSKGLK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.82
Rot. Bonds6

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

5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109227724) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109227724
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2c(C)cccc2C)c1
InChIInChI=1S/C17H21N3O2/c1-12-5-4-6-13(2)16(12)20-15-9-14(10-18-11-15)17(21)19-7-8-22-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,19,21)
InChIKeyXQQNTUJAYSKGLK-UHFFFAOYSA-N
XLogP2.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109227724) is 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(Nc2c(C)cccc2C)c1.
What is the InChIKey of 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is XQQNTUJAYSKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-4-6-13(2)16(12)20-15-9-14(10-18-11-15)17(21)19-7-8-22-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,19,21).
What are the key properties of 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).