N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide

C14H24N4O2 — CID 82951763

IUPACN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
SMILESCOCCN(c1nc(C)cc(C)c1/C(N)=N/O)C(C)C
InChIInChI=1S/C14H24N4O2/c1-9(2)18(6-7-20-5)14-12(13(15)17-19)10(3)8-11(4)16-14/h8-9,19H,6-7H2,1-5H3,(H2,15,17)
InChIKeyJMTNAHAZTAUBDG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.65
Rot. Bonds6

About N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 82951763) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID82951763
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
SMILESCOCCN(c1nc(C)cc(C)c1/C(N)=N/O)C(C)C
InChIInChI=1S/C14H24N4O2/c1-9(2)18(6-7-20-5)14-12(13(15)17-19)10(3)8-11(4)16-14/h8-9,19H,6-7H2,1-5H3,(H2,15,17)
InChIKeyJMTNAHAZTAUBDG-UHFFFAOYSA-N
XLogP1.65
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.65
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

N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
CID 82951393
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61175807
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
N'-hydroxy-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932
N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
CID 112660075
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76911921
N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 82941710
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide (CID 82951763) is N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide is COCCN(c1nc(C)cc(C)c1/C(N)=N/O)C(C)C.
What is the InChIKey of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JMTNAHAZTAUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)18(6-7-20-5)14-12(13(15)17-19)10(3)8-11(4)16-14/h8-9,19H,6-7H2,1-5H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 280.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 82951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).