3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide

C13H19ClN4O2 — CID 136739755

IUPAC3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
SMILESCN1CCCCC1COc1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C13H19ClN4O2/c1-18-7-3-2-4-9(18)8-20-13-11(14)10(5-6-16-13)12(15)17-19/h5-6,9,19H,2-4,7-8H2,1H3,(H2,15,17)
InChIKeyHEGKPPAGWVQIEU-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.69
Rot. Bonds4

About 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide (PubChem CID 136739755) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
PubChem CID136739755
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
SMILESCN1CCCCC1COc1nccc(/C(N)=N/O)c1Cl
InChIInChI=1S/C13H19ClN4O2/c1-18-7-3-2-4-9(18)8-20-13-11(14)10(5-6-16-13)12(15)17-19/h5-6,9,19H,2-4,7-8H2,1H3,(H2,15,17)
InChIKeyHEGKPPAGWVQIEU-UHFFFAOYSA-N
XLogP1.69
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.69
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-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 114049950
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
CID 80507893
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825
N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
CID 77067948
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
2-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112573106

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide (CID 136739755) is 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide is CN1CCCCC1COc1nccc(/C(N)=N/O)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide?
The InChIKey is HEGKPPAGWVQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-18-7-3-2-4-9(18)8-20-13-11(14)10(5-6-16-13)12(15)17-19/h5-6,9,19H,2-4,7-8H2,1H3,(H2,15,17).
What are the key properties of 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide has a molecular weight of 298.77 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 136739755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).