3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide

C14H15N3O — CID 62894051

IUPAC3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cccc(C)c1
InChIInChI=1S/C14H15N3O/c1-10-4-2-6-12(8-10)18-9-11-5-3-7-17-13(11)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyYXKOBWFPFWRRJQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.25
Rot. Bonds4

About 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide

3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62894051) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62894051
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cccc(C)c1
InChIInChI=1S/C14H15N3O/c1-10-4-2-6-12(8-10)18-9-11-5-3-7-17-13(11)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyYXKOBWFPFWRRJQ-UHFFFAOYSA-N
XLogP2.25
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-methylphenoxy)methyl]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-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239
3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894922
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 62893556
3-[(4-bromo-2-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 55161907
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide (CID 62894051) is 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1cccc(C)c1.
What is the InChIKey of 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is YXKOBWFPFWRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-4-2-6-12(8-10)18-9-11-5-3-7-17-13(11)14(15)16/h2-8H,9H2,1H3,(H3,15,16).
What are the key properties of 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide?
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 241.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).