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

C13H22N4O2 — CID 82951393

IUPACN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
SMILESCOCCN(c1nccc(C)c1/C(N)=N/O)C(C)C
InChIInChI=1S/C13H22N4O2/c1-9(2)17(7-8-19-4)13-11(12(14)16-18)10(3)5-6-15-13/h5-6,9,18H,7-8H2,1-4H3,(H2,14,16)
InChIKeyIRHFHKZKLQFTDZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.35
Rot. Bonds6

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

N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide (PubChem CID 82951393) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
PubChem CID82951393
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
SMILESCOCCN(c1nccc(C)c1/C(N)=N/O)C(C)C
InChIInChI=1S/C13H22N4O2/c1-9(2)17(7-8-19-4)13-11(12(14)16-18)10(3)5-6-15-13/h5-6,9,18H,7-8H2,1-4H3,(H2,14,16)
InChIKeyIRHFHKZKLQFTDZ-UHFFFAOYSA-N
XLogP1.35
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.35
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]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide
CID 104562166
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
N'-hydroxy-4-methyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
CID 112660044
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
2-[butan-2-yl(2-methoxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519526

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide (CID 82951393) is N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide is COCCN(c1nccc(C)c1/C(N)=N/O)C(C)C.
What is the InChIKey of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide?
The InChIKey is IRHFHKZKLQFTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)17(7-8-19-4)13-11(12(14)16-18)10(3)5-6-15-13/h5-6,9,18H,7-8H2,1-4H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide?
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide has a molecular weight of 266.34 g/mol, XLogP of 1.35, 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-methylpyridine-3-carboximidamide is sourced from PubChem (CID 82951393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).