6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide

C14H13N3O4 — CID 24710899

IUPAC6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(OCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H13N3O4/c15-14(17-18)10-2-4-13(16-6-10)19-7-9-1-3-11-12(5-9)21-8-20-11/h1-6,18H,7-8H2,(H2,15,17)
InChIKeyDLWXXMPPBQSTHF-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.48
Rot. Bonds4

About 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide

6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 24710899) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID24710899
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(OCc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H13N3O4/c15-14(17-18)10-2-4-13(16-6-10)19-7-9-1-3-11-12(5-9)21-8-20-11/h1-6,18H,7-8H2,(H2,15,17)
InChIKeyDLWXXMPPBQSTHF-UHFFFAOYSA-N
XLogP1.48
TPSA99.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]boronic acid
CID 118734752
2-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768074
[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
CID 66450197
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
bis(1,3-benzodioxol-5-ylmethyl) pyridine-3,5-dicarboxylate
CID 69355185
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine
CID 80859608
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77070732
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide (CID 24710899) is 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1ccc(OCc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is DLWXXMPPBQSTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-14(17-18)10-2-4-13(16-6-10)19-7-9-1-3-11-12(5-9)21-8-20-11/h1-6,18H,7-8H2,(H2,15,17).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide?
6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 287.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 24710899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).