N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide

C12H18N4O2 — CID 43590323

IUPACN'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C12H18N4O2/c13-12(15-18)10-3-4-11(14-6-10)16-5-1-2-9(7-16)8-17/h3-4,6,9,17-18H,1-2,5,7-8H2,(H2,13,15)
InChIKeyFAVLNMWIWUJRPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.38
Rot. Bonds3

About N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide

N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide (PubChem CID 43590323) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
PubChem CID43590323
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(N2CCCC(CO)C2)nc1
InChIInChI=1S/C12H18N4O2/c13-12(15-18)10-3-4-11(14-6-10)16-5-1-2-9(7-16)8-17/h3-4,6,9,17-18H,1-2,5,7-8H2,(H2,13,15)
InChIKeyFAVLNMWIWUJRPW-UHFFFAOYSA-N
XLogP0.38
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.38
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'}

Analyze N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77065218
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
CID 43585296
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide (CID 43590323) is N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide is N/C(=N\O)c1ccc(N2CCCC(CO)C2)nc1.
What is the InChIKey of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
The InChIKey is FAVLNMWIWUJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-12(15-18)10-3-4-11(14-6-10)16-5-1-2-9(7-16)8-17/h3-4,6,9,17-18H,1-2,5,7-8H2,(H2,13,15).
What are the key properties of N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide?
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide has a molecular weight of 250.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 43590323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).