N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide

C13H21N5O — CID 43585296

IUPACN'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
SMILESCC(C)N1CCN(c2ccc(/C(N)=N/O)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-10(2)17-5-7-18(8-6-17)12-4-3-11(9-15-12)13(14)16-19/h3-4,9-10,19H,5-8H2,1-2H3,(H2,14,16)
InChIKeySOWVXPRJRUXCDA-UHFFFAOYSA-N
MW263.35 g/mol
LogP0.71
Rot. Bonds3

About N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide

N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide (PubChem CID 43585296) has the molecular formula C13H21N5O and a molecular weight of 263.35 g/mol. Its IUPAC name is N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
PubChem CID43585296
Molecular FormulaC13H21N5O
Molecular Weight263.35 g/mol
Exact Mass263.17
IUPAC NameN'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
SMILESCC(C)N1CCN(c2ccc(/C(N)=N/O)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-10(2)17-5-7-18(8-6-17)12-4-3-11(9-15-12)13(14)16-19/h3-4,9-10,19H,5-8H2,1-2H3,(H2,14,16)
InChIKeySOWVXPRJRUXCDA-UHFFFAOYSA-N
XLogP0.71
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 50.71
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'}

Analyze N'-hydroxy-6-(4-propan-2-ylpiperazin-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-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
CID 58006589
N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77047412
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24695377
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 43590323
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393
N'-hydroxy-6-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
CID 43825679
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide (CID 43585296) is N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide is CC(C)N1CCN(c2ccc(/C(N)=N/O)cn2)CC1.
What is the InChIKey of N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide?
The InChIKey is SOWVXPRJRUXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(2)17-5-7-18(8-6-17)12-4-3-11(9-15-12)13(14)16-19/h3-4,9-10,19H,5-8H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide has a molecular weight of 263.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 43585296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).