2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide

C14H15N3O2 — CID 24702895

IUPAC2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(C)cc2OC)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-11(12(7-9)18-2)19-13-8-10(14(15)16)5-6-17-13/h3-8H,1-2H3,(H3,15,16)
InChIKeyGFGWJDFTKLVQEX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide

2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide (PubChem CID 24702895) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
PubChem CID24702895
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(C)cc2OC)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-11(12(7-9)18-2)19-13-8-10(14(15)16)5-6-17-13/h3-8H,1-2H3,(H3,15,16)
InChIKeyGFGWJDFTKLVQEX-UHFFFAOYSA-N
XLogP2.47
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide (CID 24702895) is 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(C)cc2OC)c1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide?
The InChIKey is GFGWJDFTKLVQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-4-11(12(7-9)18-2)19-13-8-10(14(15)16)5-6-17-13/h3-8H,1-2H3,(H3,15,16).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide?
2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 24702895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).