3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide

C15H17N3O2 — CID 62893552

IUPAC3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCOc1ccccc1
InChIInChI=1S/C15H17N3O2/c16-15(17)14-12(5-4-8-18-14)11-19-9-10-20-13-6-2-1-3-7-13/h1-8H,9-11H2,(H3,16,17)
InChIKeyVGFQISMTKIXBSM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.96
Rot. Bonds7

About 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide

3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide (PubChem CID 62893552) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
PubChem CID62893552
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCOc1ccccc1
InChIInChI=1S/C15H17N3O2/c16-15(17)14-12(5-4-8-18-14)11-19-9-10-20-13-6-2-1-3-7-13/h1-8H,9-11H2,(H3,16,17)
InChIKeyVGFQISMTKIXBSM-UHFFFAOYSA-N
XLogP1.96
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
CID 103402875
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 62893551
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 62893556
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide (CID 62893552) is 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COCCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide?
The InChIKey is VGFQISMTKIXBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(17)14-12(5-4-8-18-14)11-19-9-10-20-13-6-2-1-3-7-13/h1-8H,9-11H2,(H3,16,17).
What are the key properties of 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide?
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 62893552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).