1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide

C14H23N3O2 — CID 107017959

IUPAC1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESCCCCC(CC)Cn1cccc(/C(N)=N/O)c1=O
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(4-2)10-17-9-6-8-12(14(17)18)13(15)16-19/h6,8-9,11,19H,3-5,7,10H2,1-2H3,(H2,15,16)
InChIKeyALLVTRORMQSCSQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.16
Rot. Bonds7

About 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide

1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide (PubChem CID 107017959) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
PubChem CID107017959
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESCCCCC(CC)Cn1cccc(/C(N)=N/O)c1=O
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(4-2)10-17-9-6-8-12(14(17)18)13(15)16-19/h6,8-9,11,19H,3-5,7,10H2,1-2H3,(H2,15,16)
InChIKeyALLVTRORMQSCSQ-UHFFFAOYSA-N
XLogP2.16
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.16
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

1-(2-ethylhexyl)-3-hydroxypyridin-2-one
CID 151678015
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
[1-(2-ethylhexyl)pyrrol-2-yl]methanol
CID 66397815
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide (CID 107017959) is 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide is CCCCC(CC)Cn1cccc(/C(N)=N/O)c1=O.
What is the InChIKey of 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The InChIKey is ALLVTRORMQSCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-7-11(4-2)10-17-9-6-8-12(14(17)18)13(15)16-19/h6,8-9,11,19H,3-5,7,10H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107017959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).