6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide

C15H17N3O2 — CID 43352096

IUPAC6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CCOC)cc2)nc1
InChIInChI=1S/C15H17N3O2/c1-19-9-8-11-2-5-13(6-3-11)20-14-7-4-12(10-18-14)15(16)17/h2-7,10H,8-9H2,1H3,(H3,16,17)
InChIKeyHWRQGQQWZGFBKC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.35
Rot. Bonds6

About 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide

6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide (PubChem CID 43352096) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
PubChem CID43352096
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CCOC)cc2)nc1
InChIInChI=1S/C15H17N3O2/c1-19-9-8-11-2-5-13(6-3-11)20-14-7-4-12(10-18-14)15(16)17/h2-7,10H,8-9H2,1H3,(H3,16,17)
InChIKeyHWRQGQQWZGFBKC-UHFFFAOYSA-N
XLogP2.35
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.35
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-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 80631991
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
CID 107708868
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
2-[4-(2-methoxyethyl)phenoxy]-5-methylpyridin-4-amine
CID 83267065
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide (CID 43352096) is 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(CCOC)cc2)nc1.
What is the InChIKey of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide?
The InChIKey is HWRQGQQWZGFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-9-8-11-2-5-13(6-3-11)20-14-7-4-12(10-18-14)15(16)17/h2-7,10H,8-9H2,1H3,(H3,16,17).
What are the key properties of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide?
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 43352096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).