N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

C22H24N4O2 — CID 56662816

IUPACN'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILESCc1cc(C)cc(C/N=C(\NO)c2ccc(C)nc2OCc2ccccn2)c1
InChIInChI=1S/C22H24N4O2/c1-15-10-16(2)12-18(11-15)13-24-21(26-27)20-8-7-17(3)25-22(20)28-14-19-6-4-5-9-23-19/h4-12,27H,13-14H2,1-3H3,(H,24,26)
InChIKeyAWBWZODXUBTLMY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.91
Rot. Bonds6

About N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 56662816) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
PubChem CID56662816
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILESCc1cc(C)cc(C/N=C(\NO)c2ccc(C)nc2OCc2ccccn2)c1
InChIInChI=1S/C22H24N4O2/c1-15-10-16(2)12-18(11-15)13-24-21(26-27)20-8-7-17(3)25-22(20)28-14-19-6-4-5-9-23-19/h4-12,27H,13-14H2,1-3H3,(H,24,26)
InChIKeyAWBWZODXUBTLMY-UHFFFAOYSA-N
XLogP3.91
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.91
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (CID 56662816) is N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is Cc1cc(C)cc(C/N=C(\NO)c2ccc(C)nc2OCc2ccccn2)c1.
What is the InChIKey of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is AWBWZODXUBTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-10-16(2)12-18(11-15)13-24-21(26-27)20-8-7-17(3)25-22(20)28-14-19-6-4-5-9-23-19/h4-12,27H,13-14H2,1-3H3,(H,24,26).
What are the key properties of N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 376.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56662816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).