N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide

C10H16N4O2 — CID 104552120

IUPACN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
SMILESCC(CO)N(C)c1ncccc1/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-7(6-15)14(2)10-8(9(11)13-16)4-3-5-12-10/h3-5,7,15-16H,6H2,1-2H3,(H2,11,13)
InChIKeyWPYWGVLZABIYBI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.01
Rot. Bonds4

About N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide

N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide (PubChem CID 104552120) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
PubChem CID104552120
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
SMILESCC(CO)N(C)c1ncccc1/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-7(6-15)14(2)10-8(9(11)13-16)4-3-5-12-10/h3-5,7,15-16H,6H2,1-2H3,(H2,11,13)
InChIKeyWPYWGVLZABIYBI-UHFFFAOYSA-N
XLogP-0.01
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.01
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-2-[1-hydroxypropan-2-yl(methyl)amino]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

2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058
(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 130703156
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 61446274
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
2-bromo-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 107278810
3-chloro-N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 136739556
N'-hydroxy-3-[1-hydroxypropan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136951845
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide (CID 104552120) is N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide is CC(CO)N(C)c1ncccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
The InChIKey is WPYWGVLZABIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(6-15)14(2)10-8(9(11)13-16)4-3-5-12-10/h3-5,7,15-16H,6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 104552120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).