2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide

C14H24N4O2 — CID 137013495

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCCC(C)N(CCOC)c1cc(/C(N)=N/O)cc(C)n1
InChIInChI=1S/C14H24N4O2/c1-5-11(3)18(6-7-20-4)13-9-12(14(15)17-19)8-10(2)16-13/h8-9,11,19H,5-7H2,1-4H3,(H2,15,17)
InChIKeyMNJXEJVCVPTTRG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.74
Rot. Bonds7

About 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013495) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013495
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCCC(C)N(CCOC)c1cc(/C(N)=N/O)cc(C)n1
InChIInChI=1S/C14H24N4O2/c1-5-11(3)18(6-7-20-4)13-9-12(14(15)17-19)8-10(2)16-13/h8-9,11,19H,5-7H2,1-4H3,(H2,15,17)
InChIKeyMNJXEJVCVPTTRG-UHFFFAOYSA-N
XLogP1.74
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.74
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'}

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Related Compounds

4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 137013492
4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76984278
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013571
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482555
N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 136992386
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013495) is 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide is CCC(C)N(CCOC)c1cc(/C(N)=N/O)cc(C)n1.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is MNJXEJVCVPTTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-11(3)18(6-7-20-4)13-9-12(14(15)17-19)8-10(2)16-13/h8-9,11,19H,5-7H2,1-4H3,(H2,15,17).
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 280.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).