5-(4-ethoxyphenoxy)pyridine-2-carboximidamide

C14H15N3O2 — CID 115489787

IUPAC5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(OCC)cc2)cn1
InChIInChI=1S/C14H15N3O2/c1-2-18-10-3-5-11(6-4-10)19-12-7-8-13(14(15)16)17-9-12/h3-9H,2H2,1H3,(H3,15,16)
InChIKeyWMFZRVQUBVROOR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.56
Rot. Bonds5

About 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide

5-(4-ethoxyphenoxy)pyridine-2-carboximidamide (PubChem CID 115489787) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
PubChem CID115489787
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(OCC)cc2)cn1
InChIInChI=1S/C14H15N3O2/c1-2-18-10-3-5-11(6-4-10)19-12-7-8-13(14(15)16)17-9-12/h3-9H,2H2,1H3,(H3,15,16)
InChIKeyWMFZRVQUBVROOR-UHFFFAOYSA-N
XLogP2.56
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.56
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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Related Compounds

5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
5-(2-methylphenoxy)pyridine-2-carboximidamide
CID 113321278
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
CID 150821261
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334
5-(4-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 113321289
5-(4-propoxyphenoxy)pyridine-2-carbothioamide
CID 115488868
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide (CID 115489787) is 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(OCC)cc2)cn1.
What is the InChIKey of 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide?
The InChIKey is WMFZRVQUBVROOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-18-10-3-5-11(6-4-10)19-12-7-8-13(14(15)16)17-9-12/h3-9H,2H2,1H3,(H3,15,16).
What are the key properties of 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide?
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 115489787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).