4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide

C13H21N5O — CID 136726415

IUPAC4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCC1CN(C)CCN1Cc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H21N5O/c1-10-8-17(2)5-6-18(10)9-11-3-4-15-12(7-11)13(14)16-19/h3-4,7,10,19H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyOGMMTYVTWXXLBQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.31
Rot. Bonds3

About 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136726415) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136726415
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCC1CN(C)CCN1Cc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C13H21N5O/c1-10-8-17(2)5-6-18(10)9-11-3-4-15-12(7-11)13(14)16-19/h3-4,7,10,19H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyOGMMTYVTWXXLBQ-UHFFFAOYSA-N
XLogP0.31
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.31
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 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-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-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboximidamide
CID 136868244
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136929322
N'-hydroxy-4-[[2-(hydroxymethyl)azepan-1-yl]methyl]pyridine-2-carboximidamide
CID 136941768
4-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136733801
N'-hydroxy-4-[(4-hydroxy-4-methylazepan-1-yl)methyl]pyridine-2-carboximidamide
CID 136868751
5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
CID 134555297
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carbothioamide
CID 102883561
4-[(3-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882280
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
3-[(2,4-dimethylpiperazin-1-yl)methyl]benzonitrile
CID 71877621
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883370

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136726415) is 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide is CC1CN(C)CCN1Cc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is OGMMTYVTWXXLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-8-17(2)5-6-18(10)9-11-3-4-15-12(7-11)13(14)16-19/h3-4,7,10,19H,5-6,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136726415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).