N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide

C11H16N4O2 — CID 136990546

IUPACN'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCCC(O)C2)cn1
InChIInChI=1S/C11H16N4O2/c12-11(14-17)10-4-3-8(6-13-10)15-5-1-2-9(16)7-15/h3-4,6,9,16-17H,1-2,5,7H2,(H2,12,14)
InChIKeyJNCGFAOFJGDBIC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.14
Rot. Bonds2

About N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide

N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide (PubChem CID 136990546) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
PubChem CID136990546
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCCC(O)C2)cn1
InChIInChI=1S/C11H16N4O2/c12-11(14-17)10-4-3-8(6-13-10)15-5-1-2-9(16)7-15/h3-4,6,9,16-17H,1-2,5,7H2,(H2,12,14)
InChIKeyJNCGFAOFJGDBIC-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

5-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766533
5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990674
5-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990715
5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990631
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
CID 136924688
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990594
N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 136990599
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990679
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide (CID 136990546) is N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(N2CCCC(O)C2)cn1.
What is the InChIKey of N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is JNCGFAOFJGDBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-11(14-17)10-4-3-8(6-13-10)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-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide?
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-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-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 136990546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).