N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide

C12H15N5O2 — CID 107018140

IUPACN'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
SMILESCn1nccc1CCn1cccc(/C(N)=N/O)c1=O
InChIInChI=1S/C12H15N5O2/c1-16-9(4-6-14-16)5-8-17-7-2-3-10(12(17)18)11(13)15-19/h2-4,6-7,19H,5,8H2,1H3,(H2,13,15)
InChIKeyVHRHTVYSQQCRTQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.08
Rot. Bonds4

About N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide

N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide (PubChem CID 107018140) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
PubChem CID107018140
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
SMILESCn1nccc1CCn1cccc(/C(N)=N/O)c1=O
InChIInChI=1S/C12H15N5O2/c1-16-9(4-6-14-16)5-8-17-7-2-3-10(12(17)18)11(13)15-19/h2-4,6-7,19H,5,8H2,1H3,(H2,13,15)
InChIKeyVHRHTVYSQQCRTQ-UHFFFAOYSA-N
XLogP-0.08
TPSA98.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide (CID 107018140) is N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide is Cn1nccc1CCn1cccc(/C(N)=N/O)c1=O.
What is the InChIKey of N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide?
The InChIKey is VHRHTVYSQQCRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-9(4-6-14-16)5-8-17-7-2-3-10(12(17)18)11(13)15-19/h2-4,6-7,19H,5,8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107018140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).