2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide

C14H15N3O — CID 24696796

IUPAC2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O/c15-14(16)8-11-3-5-13(6-4-11)18-10-12-2-1-7-17-9-12/h1-7,9H,8,10H2,(H3,15,16)
InChIKeyINQDCCBKGRSTQE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide

2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide (PubChem CID 24696796) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
PubChem CID24696796
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O/c15-14(16)8-11-3-5-13(6-4-11)18-10-12-2-1-7-17-9-12/h1-7,9H,8,10H2,(H3,15,16)
InChIKeyINQDCCBKGRSTQE-UHFFFAOYSA-N
XLogP2.14
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.14
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

4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
CID 24709746
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide (CID 24696796) is 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide?
The InChIKey is INQDCCBKGRSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(16)8-11-3-5-13(6-4-11)18-10-12-2-1-7-17-9-12/h1-7,9H,8,10H2,(H3,15,16).
What are the key properties of 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide?
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide has a molecular weight of 241.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 24696796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).