N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide

C13H21N3O3 — CID 136925059

IUPACN'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide
SMILESCC(C)(C)OCCOCc1cccnc1/C(N)=N/O
InChIInChI=1S/C13H21N3O3/c1-13(2,3)19-8-7-18-9-10-5-4-6-15-11(10)12(14)16-17/h4-6,17H,7-9H2,1-3H3,(H2,14,16)
InChIKeyJFHRIWJUVNBCEK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.51
Rot. Bonds6

About N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide

N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide (PubChem CID 136925059) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide
PubChem CID136925059
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide
SMILESCC(C)(C)OCCOCc1cccnc1/C(N)=N/O
InChIInChI=1S/C13H21N3O3/c1-13(2,3)19-8-7-18-9-10-5-4-6-15-11(10)12(14)16-17/h4-6,17H,7-9H2,1-3H3,(H2,14,16)
InChIKeyJFHRIWJUVNBCEK-UHFFFAOYSA-N
XLogP1.51
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbothioamide
CID 112587680
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587633
3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136744785
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
3-(pentoxymethyl)pyridine-2-carbothioamide
CID 62894304
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 136925054
3-[(2,6-dibromoanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136716818
3-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136864271
3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
CID 103402875
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide (CID 136925059) is N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide is CC(C)(C)OCCOCc1cccnc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide?
The InChIKey is JFHRIWJUVNBCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)19-8-7-18-9-10-5-4-6-15-11(10)12(14)16-17/h4-6,17H,7-9H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide?
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136925059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).