N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide

C14H15N3O2 — CID 107109802

IUPACN'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
SMILESCc1ccc(Oc2c(C)cccc2/C(N)=N/O)cn1
InChIInChI=1S/C14H15N3O2/c1-9-4-3-5-12(14(15)17-18)13(9)19-11-7-6-10(2)16-8-11/h3-8,18H,1-2H3,(H2,15,17)
InChIKeyODCTYLAKHLCGOT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.59
Rot. Bonds3

About N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide

N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide (PubChem CID 107109802) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
PubChem CID107109802
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
SMILESCc1ccc(Oc2c(C)cccc2/C(N)=N/O)cn1
InChIInChI=1S/C14H15N3O2/c1-9-4-3-5-12(14(15)17-18)13(9)19-11-7-6-10(2)16-8-11/h3-8,18H,1-2H3,(H2,15,17)
InChIKeyODCTYLAKHLCGOT-UHFFFAOYSA-N
XLogP2.59
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
N'-hydroxy-3-methyl-4-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 55031079
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109913
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
CID 107109654
2-(4-bromo-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 83140941

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide (CID 107109802) is N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide is Cc1ccc(Oc2c(C)cccc2/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The InChIKey is ODCTYLAKHLCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-3-5-12(14(15)17-18)13(9)19-11-7-6-10(2)16-8-11/h3-8,18H,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide has a molecular weight of 257.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide is sourced from PubChem (CID 107109802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).