1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide

C16H19N3O2 — CID 107073608

IUPAC1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1cc(C)cc(Cn2c(C)ccc(/C(N)=N/O)c2=O)c1
InChIInChI=1S/C16H19N3O2/c1-10-6-11(2)8-13(7-10)9-19-12(3)4-5-14(16(19)20)15(17)18-21/h4-8,21H,9H2,1-3H3,(H2,17,18)
InChIKeyWRKBDKHPIUJHFD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.92
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide

1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide (PubChem CID 107073608) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
PubChem CID107073608
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1cc(C)cc(Cn2c(C)ccc(/C(N)=N/O)c2=O)c1
InChIInChI=1S/C16H19N3O2/c1-10-6-11(2)8-13(7-10)9-19-12(3)4-5-14(16(19)20)15(17)18-21/h4-8,21H,9H2,1-3H3,(H2,17,18)
InChIKeyWRKBDKHPIUJHFD-UHFFFAOYSA-N
XLogP1.92
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.92
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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Related Compounds

N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073611
N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
CID 97058136
1-[(5-bromothiophen-2-yl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073532
N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
CID 107073560
1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073648
N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073636
6-methyl-1-[(5-methyl-3-pyridinyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107073495
3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
CID 82151492
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
1-[(3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073345
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82918916

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide (CID 107073608) is 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide is Cc1cc(C)cc(Cn2c(C)ccc(/C(N)=N/O)c2=O)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The InChIKey is WRKBDKHPIUJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-6-11(2)8-13(7-10)9-19-12(3)4-5-14(16(19)20)15(17)18-21/h4-8,21H,9H2,1-3H3,(H2,17,18).
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107073608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).