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

C14H15N3O2 — CID 107018124

IUPACN'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(Cn2cccc(/C(N)=N/O)c2=O)cc1
InChIInChI=1S/C14H15N3O2/c1-10-4-6-11(7-5-10)9-17-8-2-3-12(14(17)18)13(15)16-19/h2-8,19H,9H2,1H3,(H2,15,16)
InChIKeySMHKXWFMKQXOPE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.30
Rot. Bonds3

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

N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide (PubChem CID 107018124) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
PubChem CID107018124
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(Cn2cccc(/C(N)=N/O)c2=O)cc1
InChIInChI=1S/C14H15N3O2/c1-10-4-6-11(7-5-10)9-17-8-2-3-12(14(17)18)13(15)16-19/h2-8,19H,9H2,1H3,(H2,15,16)
InChIKeySMHKXWFMKQXOPE-UHFFFAOYSA-N
XLogP1.30
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.30
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-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 54558156
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598795
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
CID 107017979

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide (CID 107018124) is N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide is Cc1ccc(Cn2cccc(/C(N)=N/O)c2=O)cc1.
What is the InChIKey of N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide?
The InChIKey is SMHKXWFMKQXOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-6-11(7-5-10)9-17-8-2-3-12(14(17)18)13(15)16-19/h2-8,19H,9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide has a molecular weight of 257.29 g/mol, XLogP of 1.30, 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-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107018124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).