N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide

C21H18N2O2 — CID 166627613

IUPACN-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide
SMILESCc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1
InChIInChI=1S/C21H18N2O2/c1-15-2-8-18(9-3-15)20-14-17(12-13-22-20)5-4-16-6-10-19(11-7-16)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b5-4+
InChIKeyYTNXWWYNXWSBMK-SNAWJCMRSA-N
MW330.39 g/mol
LogP4.35
Rot. Bonds4

About N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide

N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide (PubChem CID 166627613) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide
PubChem CID166627613
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide
SMILESCc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1
InChIInChI=1S/C21H18N2O2/c1-15-2-8-18(9-3-15)20-14-17(12-13-22-20)5-4-16-6-10-19(11-7-16)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b5-4+
InChIKeyYTNXWWYNXWSBMK-SNAWJCMRSA-N
XLogP4.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide (CID 166627613) is N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide is Cc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1.
What is the InChIKey of N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide?
The InChIKey is YTNXWWYNXWSBMK-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-2-8-18(9-3-15)20-14-17(12-13-22-20)5-4-16-6-10-19(11-7-16)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b5-4+.
What are the key properties of N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide?
N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(E)-2-[2-(4-methylphenyl)-4-pyridinyl]ethenyl]benzamide is sourced from PubChem (CID 166627613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).