4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide

C13H19N3O2 — CID 136731220

IUPAC4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(COCCC2CCC2)ccn1
InChIInChI=1S/C13H19N3O2/c14-13(16-17)12-8-11(4-6-15-12)9-18-7-5-10-2-1-3-10/h4,6,8,10,17H,1-3,5,7,9H2,(H2,14,16)
InChIKeyDEJPOSFUXWUWPD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds6

About 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide

4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136731220) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136731220
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(COCCC2CCC2)ccn1
InChIInChI=1S/C13H19N3O2/c14-13(16-17)12-8-11(4-6-15-12)9-18-7-5-10-2-1-3-10/h4,6,8,10,17H,1-3,5,7,9H2,(H2,14,16)
InChIKeyDEJPOSFUXWUWPD-UHFFFAOYSA-N
XLogP1.88
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid
CID 106206475
4-(2-cyclobutylethoxymethyl)-N-propylpyridin-2-amine
CID 114157922
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615
4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136987900
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
N'-hydroxy-4-[5-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]oxy]pentoxy]pyridine-2-carboximidamide
CID 135878418
4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136869301

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide (CID 136731220) is 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(COCCC2CCC2)ccn1.
What is the InChIKey of 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DEJPOSFUXWUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(16-17)12-8-11(4-6-15-12)9-18-7-5-10-2-1-3-10/h4,6,8,10,17H,1-3,5,7,9H2,(H2,14,16).
What are the key properties of 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide?
4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 249.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136731220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).