2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide

C14H22N4O2 — CID 137013624

IUPAC2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-10-7-12(14(15)17-19)8-13(16-10)18(2)5-6-20-9-11-3-4-11/h7-8,11,19H,3-6,9H2,1-2H3,(H2,15,17)
InChIKeyGDZJCMMCVBTAIR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds7

About 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013624) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013624
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-10-7-12(14(15)17-19)8-13(16-10)18(2)5-6-20-9-11-3-4-11/h7-8,11,19H,3-6,9H2,1-2H3,(H2,15,17)
InChIKeyGDZJCMMCVBTAIR-UHFFFAOYSA-N
XLogP1.35
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 136992386
N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide
CID 137013614
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013571
2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013422
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883323
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-bromo-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535992
ethyl 6-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-3-carboxylate
CID 103748767
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013624) is 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(N(C)CCOCC2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is GDZJCMMCVBTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-7-12(14(15)17-19)8-13(16-10)18(2)5-6-20-9-11-3-4-11/h7-8,11,19H,3-6,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).