N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide

C19H25N3O3 — CID 56682141

IUPACN-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCOCC/N=C(\NO)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1
InChIInChI=1S/C19H25N3O3/c1-13(2)16-9-14(3)10-17(11-16)25-18-6-5-15(12-21-18)19(22-23)20-7-8-24-4/h5-6,9-13,23H,7-8H2,1-4H3,(H,20,22)
InChIKeyGVCJIBSYYZTKDG-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.68
Rot. Bonds7

About N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide

N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 56682141) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
PubChem CID56682141
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCOCC/N=C(\NO)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1
InChIInChI=1S/C19H25N3O3/c1-13(2)16-9-14(3)10-17(11-16)25-18-6-5-15(12-21-18)19(22-23)20-7-8-24-4/h5-6,9-13,23H,7-8H2,1-4H3,(H,20,22)
InChIKeyGVCJIBSYYZTKDG-UHFFFAOYSA-N
XLogP3.68
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide (CID 56682141) is N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide is COCC/N=C(\NO)c1ccc(Oc2cc(C)cc(C(C)C)c2)nc1.
What is the InChIKey of N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is GVCJIBSYYZTKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)16-9-14(3)10-17(11-16)25-18-6-5-15(12-21-18)19(22-23)20-7-8-24-4/h5-6,9-13,23H,7-8H2,1-4H3,(H,20,22).
What are the key properties of N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 343.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56682141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).