N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide

C12H18N4O2 — CID 136990869

IUPACN'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide
SMILESCN1CCC(Oc2ccc(/C(N)=N/O)nc2)CC1
InChIInChI=1S/C12H18N4O2/c1-16-6-4-9(5-7-16)18-10-2-3-11(14-8-10)12(13)15-17/h2-3,8-9,17H,4-7H2,1H3,(H2,13,15)
InChIKeyRTRMXMFNEVPPTA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.65
Rot. Bonds3

About N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide

N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide (PubChem CID 136990869) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide
PubChem CID136990869
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide
SMILESCN1CCC(Oc2ccc(/C(N)=N/O)nc2)CC1
InChIInChI=1S/C12H18N4O2/c1-16-6-4-9(5-7-16)18-10-2-3-11(14-8-10)12(13)15-17/h2-3,8-9,17H,4-7H2,1H3,(H2,13,15)
InChIKeyRTRMXMFNEVPPTA-UHFFFAOYSA-N
XLogP0.65
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.65
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

5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 136967342
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
CID 136949020
N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
CID 136990779
5-(1-methylpyrrolidin-3-yl)oxypyridin-2-amine
CID 130834078
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
1-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]propan-1-amine
CID 112584872

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide (CID 136990869) is N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide is CN1CCC(Oc2ccc(/C(N)=N/O)nc2)CC1.
What is the InChIKey of N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide?
The InChIKey is RTRMXMFNEVPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-6-4-9(5-7-16)18-10-2-3-11(14-8-10)12(13)15-17/h2-3,8-9,17H,4-7H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide?
N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide has a molecular weight of 250.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide is sourced from PubChem (CID 136990869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).