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

C13H21N3O3 — CID 103402875

IUPAC3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCCOCCOC
InChIInChI=1S/C13H21N3O3/c1-17-8-9-18-6-3-7-19-10-11-4-2-5-16-12(11)13(14)15/h2,4-5H,3,6-10H2,1H3,(H3,14,15)
InChIKeyLOJRQYDSGRIOPK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.94
Rot. Bonds10

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

3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide (PubChem CID 103402875) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
PubChem CID103402875
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCCOCCOC
InChIInChI=1S/C13H21N3O3/c1-17-8-9-18-6-3-7-19-10-11-4-2-5-16-12(11)13(14)15/h2,4-5H,3,6-10H2,1H3,(H3,14,15)
InChIKeyLOJRQYDSGRIOPK-UHFFFAOYSA-N
XLogP0.94
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.94
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-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 113426979
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 62893551
3-(2-ethylhexoxymethyl)pyridine-2-carboximidamide
CID 62894918
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
CID 103177983
3-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62465864
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide (CID 103402875) is 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COCCCOCCOC.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide?
The InChIKey is LOJRQYDSGRIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-17-8-9-18-6-3-7-19-10-11-4-2-5-16-12(11)13(14)15/h2,4-5H,3,6-10H2,1H3,(H3,14,15).
What are the key properties of 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide?
3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 103402875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).