N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide

C16H16N4O3 — CID 71811335

IUPACN-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide
SMILESO=C(NO)c1ccc(N2CCN(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C16H16N4O3/c21-15(18-23)13-1-3-14(4-2-13)20-10-9-19(16(20)22)11-12-5-7-17-8-6-12/h1-8,23H,9-11H2,(H,18,21)
InChIKeyWSUPPHLBTYXZDY-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.64
Rot. Bonds4

About N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide

N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide (PubChem CID 71811335) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide
PubChem CID71811335
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide
SMILESO=C(NO)c1ccc(N2CCN(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C16H16N4O3/c21-15(18-23)13-1-3-14(4-2-13)20-10-9-19(16(20)22)11-12-5-7-17-8-6-12/h1-8,23H,9-11H2,(H,18,21)
InChIKeyWSUPPHLBTYXZDY-UHFFFAOYSA-N
XLogP1.64
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide?
The IUPAC name of N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide (CID 71811335) is N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide is O=C(NO)c1ccc(N2CCN(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide?
The InChIKey is WSUPPHLBTYXZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(18-23)13-1-3-14(4-2-13)20-10-9-19(16(20)22)11-12-5-7-17-8-6-12/h1-8,23H,9-11H2,(H,18,21).
What are the key properties of N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide?
N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide has a molecular weight of 312.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-oxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]benzamide is sourced from PubChem (CID 71811335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).