3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide

C11H17N3O3 — CID 113426979

IUPAC3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1OCCOCCOC
InChIInChI=1S/C11H17N3O3/c1-15-5-6-16-7-8-17-9-3-2-4-14-10(9)11(12)13/h2-4H,5-8H2,1H3,(H3,12,13)
InChIKeyYPPJALFFFXIXFX-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.41
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide

3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide (PubChem CID 113426979) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
PubChem CID113426979
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1OCCOCCOC
InChIInChI=1S/C11H17N3O3/c1-15-5-6-16-7-8-17-9-3-2-4-14-10(9)11(12)13/h2-4H,5-8H2,1H3,(H3,12,13)
InChIKeyYPPJALFFFXIXFX-UHFFFAOYSA-N
XLogP0.41
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
CID 103402875
3-(2-cyclopropylethoxy)pyridine-2-carboximidamide
CID 106202059
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide (CID 113426979) is 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1OCCOCCOC.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide?
The InChIKey is YPPJALFFFXIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-15-5-6-16-7-8-17-9-3-2-4-14-10(9)11(12)13/h2-4H,5-8H2,1H3,(H3,12,13).
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide?
3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide has a molecular weight of 239.28 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 113426979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).