N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide

C13H20N4O2 — CID 136920317

IUPACN'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
SMILESCN1CCCC1CCOc1cc(/C(N)=N/O)ccn1
InChIInChI=1S/C13H20N4O2/c1-17-7-2-3-11(17)5-8-19-12-9-10(4-6-15-12)13(14)16-18/h4,6,9,11,18H,2-3,5,7-8H2,1H3,(H2,14,16)
InChIKeyLICGPADIYJYZDC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.04
Rot. Bonds5

About N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide

N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide (PubChem CID 136920317) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
PubChem CID136920317
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
SMILESCN1CCCC1CCOc1cc(/C(N)=N/O)ccn1
InChIInChI=1S/C13H20N4O2/c1-17-7-2-3-11(17)5-8-19-12-9-10(4-6-15-12)13(14)16-18/h4,6,9,11,18H,2-3,5,7-8H2,1H3,(H2,14,16)
InChIKeyLICGPADIYJYZDC-UHFFFAOYSA-N
XLogP1.04
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
CID 106201698
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide (CID 136920317) is N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide is CN1CCCC1CCOc1cc(/C(N)=N/O)ccn1.
What is the InChIKey of N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide?
The InChIKey is LICGPADIYJYZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17-7-2-3-11(17)5-8-19-12-9-10(4-6-15-12)13(14)16-18/h4,6,9,11,18H,2-3,5,7-8H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide?
N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 136920317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).