6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide

C12H19N5O — CID 76986817

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(C)C1CCN(c2ccc(C(N)=NO)cn2)C1
InChIInChI=1S/C12H19N5O/c1-16(2)10-5-6-17(8-10)11-4-3-9(7-14-11)12(13)15-18/h3-4,7,10,18H,5-6,8H2,1-2H3,(H2,13,15)
InChIKeyJKPUXOVQNUUTHM-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.32
Rot. Bonds3

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide

6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76986817) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
PubChem CID76986817
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(C)C1CCN(c2ccc(C(N)=NO)cn2)C1
InChIInChI=1S/C12H19N5O/c1-16(2)10-5-6-17(8-10)11-4-3-9(7-14-11)12(13)15-18/h3-4,7,10,18H,5-6,8H2,1-2H3,(H2,13,15)
InChIKeyJKPUXOVQNUUTHM-UHFFFAOYSA-N
XLogP0.32
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.32
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 6-[3-(dimethylamino)pyrrolidin-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-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 43590323
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
CID 43585296
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
N'-hydroxy-6-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 76929782
3-bromo-4-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799919

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide (CID 76986817) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide is CN(C)C1CCN(c2ccc(C(N)=NO)cn2)C1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is JKPUXOVQNUUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16(2)10-5-6-17(8-10)11-4-3-9(7-14-11)12(13)15-18/h3-4,7,10,18H,5-6,8H2,1-2H3,(H2,13,15).
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76986817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).