3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide

C15H17N3O — CID 62895772

IUPAC3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccc(CC)cc1
InChIInChI=1S/C15H17N3O/c1-2-11-5-7-13(8-6-11)19-10-12-4-3-9-18-14(12)15(16)17/h3-9H,2,10H2,1H3,(H3,16,17)
InChIKeyOLGJCJWIKXZEEP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.51
Rot. Bonds5

About 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide

3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62895772) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62895772
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccc(CC)cc1
InChIInChI=1S/C15H17N3O/c1-2-11-5-7-13(8-6-11)19-10-12-4-3-9-18-14(12)15(16)17/h3-9H,2,10H2,1H3,(H3,16,17)
InChIKeyOLGJCJWIKXZEEP-UHFFFAOYSA-N
XLogP2.51
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.51
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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Related Compounds

3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 62893556
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894922
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide (CID 62895772) is 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1ccc(CC)cc1.
What is the InChIKey of 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is OLGJCJWIKXZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-11-5-7-13(8-6-11)19-10-12-4-3-9-18-14(12)15(16)17/h3-9H,2,10H2,1H3,(H3,16,17).
What are the key properties of 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide?
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62895772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).