N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide

C12H18N4O — CID 24711133

IUPACN'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCC1CCCCN1c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C12H18N4O/c1-9-4-2-3-7-16(9)11-6-5-10(8-14-11)12(13)15-17/h5-6,8-9,17H,2-4,7H2,1H3,(H2,13,15)
InChIKeyMYLDUTUJLJKBAO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.55
Rot. Bonds2

About N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide

N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide (PubChem CID 24711133) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
PubChem CID24711133
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCC1CCCCN1c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C12H18N4O/c1-9-4-2-3-7-16(9)11-6-5-10(8-14-11)12(13)15-17/h5-6,8-9,17H,2-4,7H2,1H3,(H2,13,15)
InChIKeyMYLDUTUJLJKBAO-UHFFFAOYSA-N
XLogP1.55
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77065218
N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038
3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
CID 43658120
N'-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboximidamide
CID 81203418
N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
N'-hydroxy-6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470225
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734
N'-hydroxy-6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 76916253
N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 54882615

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide (CID 24711133) is N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide is CC1CCCCN1c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is MYLDUTUJLJKBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-2-3-7-16(9)11-6-5-10(8-14-11)12(13)15-17/h5-6,8-9,17H,2-4,7H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 24711133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).