N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide

C15H17N3O2 — CID 137013719

IUPACN'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OC(C)c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10-8-13(15(16)18-19)9-14(17-10)20-11(2)12-6-4-3-5-7-12/h3-9,11,19H,1-2H3,(H2,16,18)
InChIKeyALBUGTGEUUDKTB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.62
Rot. Bonds4

About N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide (PubChem CID 137013719) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
PubChem CID137013719
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OC(C)c2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10-8-13(15(16)18-19)9-14(17-10)20-11(2)12-6-4-3-5-7-12/h3-9,11,19H,1-2H3,(H2,16,18)
InChIKeyALBUGTGEUUDKTB-UHFFFAOYSA-N
XLogP2.62
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide (CID 137013719) is N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(OC(C)c2ccccc2)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide?
The InChIKey is ALBUGTGEUUDKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-13(15(16)18-19)9-14(17-10)20-11(2)12-6-4-3-5-7-12/h3-9,11,19H,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 137013719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).