6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide

C15H17N3O — CID 64596172

IUPAC6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C15H17N3O/c1-9-7-8-10(2)14(11(9)3)19-13-6-4-5-12(18-13)15(16)17/h4-8H,1-3H3,(H3,16,17)
InChIKeyKEEOOOLSCLGLAM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.08
Rot. Bonds3

About 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide

6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide (PubChem CID 64596172) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
PubChem CID64596172
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C15H17N3O/c1-9-7-8-10(2)14(11(9)3)19-13-6-4-5-12(18-13)15(16)17/h4-8H,1-3H3,(H3,16,17)
InChIKeyKEEOOOLSCLGLAM-UHFFFAOYSA-N
XLogP3.08
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.08
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 6-(2,3,6-trimethylphenoxy)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

6-(2,6-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64596167
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
6-(3,5-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64594798
4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 55155138
pyridine-2,6-dicarboximidamide
CID 23373306
6-(2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 64595176
6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
CID 66232264
6-heptoxypyridine-2-carboximidamide
CID 64594210
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
CID 80514283
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
CID 112587765
6-(3-nitrophenoxy)pyridine-2-carboximidamide
CID 64593431

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide (CID 64596172) is 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(Oc2c(C)ccc(C)c2C)n1.
What is the InChIKey of 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
The InChIKey is KEEOOOLSCLGLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-7-8-10(2)14(11(9)3)19-13-6-4-5-12(18-13)15(16)17/h4-8H,1-3H3,(H3,16,17).
What are the key properties of 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 64596172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).