N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide

C11H16N4O2 — CID 136924688

IUPACN'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCCC(O)C2)c1
InChIInChI=1S/C11H16N4O2/c12-11(14-17)8-3-4-13-10(6-8)15-5-1-2-9(16)7-15/h3-4,6,9,16-17H,1-2,5,7H2,(H2,12,14)
InChIKeyMUJUEPQULQXLTJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.14
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide

N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide (PubChem CID 136924688) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
PubChem CID136924688
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCCC(O)C2)c1
InChIInChI=1S/C11H16N4O2/c12-11(14-17)8-3-4-13-10(6-8)15-5-1-2-9(16)7-15/h3-4,6,9,16-17H,1-2,5,7H2,(H2,12,14)
InChIKeyMUJUEPQULQXLTJ-UHFFFAOYSA-N
XLogP0.14
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.14
H-Bond Donors ≤ 53
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

N'-hydroxy-2-piperidin-1-ylpyridine-4-carboximidamide
CID 135906764
N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 136914286
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
CID 136990546
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 43590323
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide
CID 54990298
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide (CID 136924688) is N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(N2CCCC(O)C2)c1.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide?
The InChIKey is MUJUEPQULQXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-11(14-17)8-3-4-13-10(6-8)15-5-1-2-9(16)7-15/h3-4,6,9,16-17H,1-2,5,7H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide?
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide has a molecular weight of 236.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 136924688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).