4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide

C15H17N3O — CID 55155138

IUPAC4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2c(C)ccc(C)c2C)ccn1
InChIInChI=1S/C15H17N3O/c1-9-4-5-10(2)14(11(9)3)19-12-6-7-18-13(8-12)15(16)17/h4-8H,1-3H3,(H3,16,17)
InChIKeyCQLMZFQTZXZSCE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.08
Rot. Bonds3

About 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide

4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide (PubChem CID 55155138) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
PubChem CID55155138
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2c(C)ccc(C)c2C)ccn1
InChIInChI=1S/C15H17N3O/c1-9-4-5-10(2)14(11(9)3)19-12-6-7-18-13(8-12)15(16)17/h4-8H,1-3H3,(H3,16,17)
InChIKeyCQLMZFQTZXZSCE-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide (CID 55155138) is 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Oc2c(C)ccc(C)c2C)ccn1.
What is the InChIKey of 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
The InChIKey is CQLMZFQTZXZSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-4-5-10(2)14(11(9)3)19-12-6-7-18-13(8-12)15(16)17/h4-8H,1-3H3,(H3,16,17).
What are the key properties of 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide?
4-(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 4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 55155138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).