N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide

C14H14IN3O2 — CID 107073611

IUPACN'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1Cc1ccc(I)cc1
InChIInChI=1S/C14H14IN3O2/c1-9-2-7-12(13(16)17-20)14(19)18(9)8-10-3-5-11(15)6-4-10/h2-7,20H,8H2,1H3,(H2,16,17)
InChIKeyGAMWCOKPJCFFIM-UHFFFAOYSA-N
MW383.19 g/mol
LogP1.90
Rot. Bonds3

About N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide

N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide (PubChem CID 107073611) has the molecular formula C14H14IN3O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide
PubChem CID107073611
Molecular FormulaC14H14IN3O2
Molecular Weight383.19 g/mol
Exact Mass383.01
IUPAC NameN'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1Cc1ccc(I)cc1
InChIInChI=1S/C14H14IN3O2/c1-9-2-7-12(13(16)17-20)14(19)18(9)8-10-3-5-11(15)6-4-10/h2-7,20H,8H2,1H3,(H2,16,17)
InChIKeyGAMWCOKPJCFFIM-UHFFFAOYSA-N
XLogP1.90
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 51.90
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': 'iodine', '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

1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073608
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
1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073648
N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
CID 107073560
3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
CID 82151492
N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073636
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
2-(2,5-dimethylpyrrol-1-yl)-N'-hydroxyethanimidamide
CID 167740386
1-[(3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073345
6-methyl-1-[(5-methyl-3-pyridinyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107073495
1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82918916

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide (CID 107073611) is N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1Cc1ccc(I)cc1.
What is the InChIKey of N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide?
The InChIKey is GAMWCOKPJCFFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O2/c1-9-2-7-12(13(16)17-20)14(19)18(9)8-10-3-5-11(15)6-4-10/h2-7,20H,8H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide has a molecular weight of 383.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107073611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).