N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide

C21H21N3O2 — CID 56662107

IUPACN'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
SMILESCc1cccc(Oc2nc(C)ccc2/C(=N/Cc2ccccc2)NO)c1
InChIInChI=1S/C21H21N3O2/c1-15-7-6-10-18(13-15)26-21-19(12-11-16(2)23-21)20(24-25)22-14-17-8-4-3-5-9-17/h3-13,25H,14H2,1-2H3,(H,22,24)
InChIKeyPYHVFDMHBAKCLP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.42
Rot. Bonds5

About N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide

N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide (PubChem CID 56662107) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
PubChem CID56662107
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
SMILESCc1cccc(Oc2nc(C)ccc2/C(=N/Cc2ccccc2)NO)c1
InChIInChI=1S/C21H21N3O2/c1-15-7-6-10-18(13-15)26-21-19(12-11-16(2)23-21)20(24-25)22-14-17-8-4-3-5-9-17/h3-13,25H,14H2,1-2H3,(H,22,24)
InChIKeyPYHVFDMHBAKCLP-UHFFFAOYSA-N
XLogP4.42
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.42
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 56679500
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56682339
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 56682007
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592
2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56671972
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
2-(2,5-dichlorophenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56682010
2-(3-methylphenoxy)quinoline-3-carboxylic acid
CID 28952515
N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboximidamide
CID 56668867

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide (CID 56662107) is N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide is Cc1cccc(Oc2nc(C)ccc2/C(=N/Cc2ccccc2)NO)c1.
What is the InChIKey of N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
The InChIKey is PYHVFDMHBAKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-7-6-10-18(13-15)26-21-19(12-11-16(2)23-21)20(24-25)22-14-17-8-4-3-5-9-17/h3-13,25H,14H2,1-2H3,(H,22,24).
What are the key properties of N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide?
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide has a molecular weight of 347.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56662107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).