N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide

C15H17N3O3 — CID 107656907

IUPACN'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCCn1ccccc1=O
InChIInChI=1S/C15H17N3O3/c1-11-5-6-12(15(16)17-20)10-13(11)21-9-8-18-7-3-2-4-14(18)19/h2-7,10,20H,8-9H2,1H3,(H2,16,17)
InChIKeyPMYGCOLSHYIQEM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.33
Rot. Bonds5

About N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide

N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide (PubChem CID 107656907) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
PubChem CID107656907
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCCn1ccccc1=O
InChIInChI=1S/C15H17N3O3/c1-11-5-6-12(15(16)17-20)10-13(11)21-9-8-18-7-3-2-4-14(18)19/h2-7,10,20H,8-9H2,1H3,(H2,16,17)
InChIKeyPMYGCOLSHYIQEM-UHFFFAOYSA-N
XLogP1.33
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.33
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-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107912480
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
3-(2-tert-butylsulfonylethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656742
3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107666698
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide (CID 107656907) is N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OCCn1ccccc1=O.
What is the InChIKey of N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
The InChIKey is PMYGCOLSHYIQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-5-6-12(15(16)17-20)10-13(11)21-9-8-18-7-3-2-4-14(18)19/h2-7,10,20H,8-9H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide has a molecular weight of 287.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107656907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).