N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide

C11H18N4O2 — CID 137013645

IUPACN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)C(C)CO)n1
InChIInChI=1S/C11H18N4O2/c1-7-4-9(11(12)14-17)5-10(13-7)15(3)8(2)6-16/h4-5,8,16-17H,6H2,1-3H3,(H2,12,14)
InChIKeyIXQCLAZYNQNSHE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.30
Rot. Bonds4

About N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide

N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 137013645) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID137013645
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)C(C)CO)n1
InChIInChI=1S/C11H18N4O2/c1-7-4-9(11(12)14-17)5-10(13-7)15(3)8(2)6-16/h4-5,8,16-17H,6H2,1-3H3,(H2,12,14)
InChIKeyIXQCLAZYNQNSHE-UHFFFAOYSA-N
XLogP0.30
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.30
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'}

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Related Compounds

N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 136992386
N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 137013492
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 115868780
2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013422
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
CID 55175699
N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide
CID 137013614
2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013536
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013571
(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol
CID 131159627
2-[1-hydroxypropan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 113426031

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide (CID 137013645) is N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(N(C)C(C)CO)n1.
What is the InChIKey of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is IXQCLAZYNQNSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-4-9(11(12)14-17)5-10(13-7)15(3)8(2)6-16/h4-5,8,16-17H,6H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide?
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of 0.30, 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]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).