N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide

C21H18N2O3 — CID 166634276

IUPACN-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide
SMILESO=C(NO)c1ccc(/C=C/c2ccnc(-c3cccc(CO)c3)c2)cc1
InChIInChI=1S/C21H18N2O3/c24-14-17-2-1-3-19(12-17)20-13-16(10-11-22-20)5-4-15-6-8-18(9-7-15)21(25)23-26/h1-13,24,26H,14H2,(H,23,25)/b5-4+
InChIKeyOGTSPZALNZIJOM-SNAWJCMRSA-N
MW346.39 g/mol
LogP3.53
Rot. Bonds5

About N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide

N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide (PubChem CID 166634276) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide
PubChem CID166634276
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide
SMILESO=C(NO)c1ccc(/C=C/c2ccnc(-c3cccc(CO)c3)c2)cc1
InChIInChI=1S/C21H18N2O3/c24-14-17-2-1-3-19(12-17)20-13-16(10-11-22-20)5-4-15-6-8-18(9-7-15)21(25)23-26/h1-13,24,26H,14H2,(H,23,25)/b5-4+
InChIKeyOGTSPZALNZIJOM-SNAWJCMRSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
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-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide (CID 166634276) is N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide is O=C(NO)c1ccc(/C=C/c2ccnc(-c3cccc(CO)c3)c2)cc1.
What is the InChIKey of N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide?
The InChIKey is OGTSPZALNZIJOM-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-14-17-2-1-3-19(12-17)20-13-16(10-11-22-20)5-4-15-6-8-18(9-7-15)21(25)23-26/h1-13,24,26H,14H2,(H,23,25)/b5-4+.
What are the key properties of N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide?
N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(E)-2-[2-[3-(hydroxymethyl)phenyl]-4-pyridinyl]ethenyl]benzamide is sourced from PubChem (CID 166634276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).