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

C22H31N3O3 — CID 56669338

IUPACN'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1)C(C)C
InChIInChI=1S/C22H31N3O3/c1-15(2)18-8-7-9-19(14-18)28-22-20(11-10-17(5)23-22)21(24-26)25(16(3)4)12-13-27-6/h7-11,14-16,26H,12-13H2,1-6H3/b24-21-
InChIKeyKVIREMBRWTWUKL-FLFQWRMESA-N
MW385.51 g/mol
LogP4.80
Rot. Bonds8

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

N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 56669338) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
PubChem CID56669338
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1)C(C)C
InChIInChI=1S/C22H31N3O3/c1-15(2)18-8-7-9-19(14-18)28-22-20(11-10-17(5)23-22)21(24-26)25(16(3)4)12-13-27-6/h7-11,14-16,26H,12-13H2,1-6H3/b24-21-
InChIKeyKVIREMBRWTWUKL-FLFQWRMESA-N
XLogP4.80
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide (CID 56669338) is N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide is COCCN(/C(=N\O)c1ccc(C)nc1Oc1cccc(C(C)C)c1)C(C)C.
What is the InChIKey of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is KVIREMBRWTWUKL-FLFQWRMESA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15(2)18-8-7-9-19(14-18)28-22-20(11-10-17(5)23-22)21(24-26)25(16(3)4)12-13-27-6/h7-11,14-16,26H,12-13H2,1-6H3/b24-21-.
What are the key properties of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 385.51 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-methoxyethyl)-6-methyl-N-propan-2-yl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56669338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).