2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide

C13H20N4O — CID 77077430

IUPAC2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CCC(C)N(c2ncccc2C(N)=NO)C1
InChIInChI=1S/C13H20N4O/c1-9-5-6-10(2)17(8-9)13-11(12(14)16-18)4-3-7-15-13/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyKLECDVGELJHMSK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds2

About 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide

2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77077430) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID77077430
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CCC(C)N(c2ncccc2C(N)=NO)C1
InChIInChI=1S/C13H20N4O/c1-9-5-6-10(2)17(8-9)13-11(12(14)16-18)4-3-7-15-13/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyKLECDVGELJHMSK-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
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'}

Analyze 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-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-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboximidamide
CID 79937813
N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24698019
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77020684
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109406
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboximidamide
CID 102883716
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24692564
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 77111725
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79520284
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76904193
N'-hydroxy-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 24693678

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide (CID 77077430) is 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide is CC1CCC(C)N(c2ncccc2C(N)=NO)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is KLECDVGELJHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-6-10(2)17(8-9)13-11(12(14)16-18)4-3-7-15-13/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77077430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).