4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide

C13H21N3O3 — CID 103177983

IUPAC4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCCOCCCOC)ccn1
InChIInChI=1S/C13H21N3O3/c1-17-5-2-6-18-7-8-19-10-11-3-4-16-12(9-11)13(14)15/h3-4,9H,2,5-8,10H2,1H3,(H3,14,15)
InChIKeyBLRGXWLXRHXZDS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.94
Rot. Bonds10

About 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide

4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide (PubChem CID 103177983) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
PubChem CID103177983
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCCOCCCOC)ccn1
InChIInChI=1S/C13H21N3O3/c1-17-5-2-6-18-7-8-19-10-11-3-4-16-12(9-11)13(14)15/h3-4,9H,2,5-8,10H2,1H3,(H3,14,15)
InChIKeyBLRGXWLXRHXZDS-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

4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610
[4-[2-(3-methoxypropoxy)ethoxymethyl]-2-pyridinyl]hydrazine
CID 103180662
1-[4-(2-methoxyethoxymethyl)-2-pyridinyl]ethanone
CID 155235183
4-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
CID 103402875
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[3-(2-methoxyethoxy)propoxymethyl]-N-methylpyridin-2-amine
CID 103405427
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide (CID 103177983) is 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COCCOCCCOC)ccn1.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide?
The InChIKey is BLRGXWLXRHXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-17-5-2-6-18-7-8-19-10-11-3-4-16-12(9-11)13(14)15/h3-4,9H,2,5-8,10H2,1H3,(H3,14,15).
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide?
4-[2-(3-methoxypropoxy)ethoxymethyl]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 4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 103177983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).