2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide

C11H16N2O3 — CID 143484449

IUPAC2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
SMILESCCOCCOc1cc(C(=O)NC)ccn1
InChIInChI=1S/C11H16N2O3/c1-3-15-6-7-16-10-8-9(4-5-13-10)11(14)12-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyVARQAGXLONSBGE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds6

About 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide

2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide (PubChem CID 143484449) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
PubChem CID143484449
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
SMILESCCOCCOc1cc(C(=O)NC)ccn1
InChIInChI=1S/C11H16N2O3/c1-3-15-6-7-16-10-8-9(4-5-13-10)11(14)12-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyVARQAGXLONSBGE-UHFFFAOYSA-N
XLogP0.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide (CID 143484449) is 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide is CCOCCOc1cc(C(=O)NC)ccn1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide?
The InChIKey is VARQAGXLONSBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-15-6-7-16-10-8-9(4-5-13-10)11(14)12-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide?
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 143484449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).