4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride

C13H15Cl2N3O — CID 47002329

IUPAC4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C13H13N3O.2ClH/c14-13(15)11-3-5-12(6-4-11)17-9-10-2-1-7-16-8-10;;/h1-8H,9H2,(H3,14,15);2*1H
InChIKeyIJMWEXJIUKIQIK-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.79
Rot. Bonds4

About 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride

4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride (PubChem CID 47002329) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
PubChem CID47002329
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C13H13N3O.2ClH/c14-13(15)11-3-5-12(6-4-11)17-9-10-2-1-7-16-8-10;;/h1-8H,9H2,(H3,14,15);2*1H
InChIKeyIJMWEXJIUKIQIK-UHFFFAOYSA-N
XLogP2.79
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.79
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

2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[2,6-difluoro-4-(pyridin-3-ylmethoxy)phenyl]-2-ethoxyacetamide;hydrochloride
CID 69291792

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride (CID 47002329) is 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride?
The InChIKey is IJMWEXJIUKIQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.2ClH/c14-13(15)11-3-5-12(6-4-11)17-9-10-2-1-7-16-8-10;;/h1-8H,9H2,(H3,14,15);2*1H.
What are the key properties of 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride?
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride has a molecular weight of 300.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 47002329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).