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

C21H18N2O3 — CID 166629293

IUPACN-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide
SMILESCOc1ccccc1-c1cc(/C=C/c2ccc(C(=O)NO)cc2)ccn1
InChIInChI=1S/C21H18N2O3/c1-26-20-5-3-2-4-18(20)19-14-16(12-13-22-19)7-6-15-8-10-17(11-9-15)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b7-6+
InChIKeyHDJNDIGSGAGDJJ-VOTSOKGWSA-N
MW346.39 g/mol
LogP4.05
Rot. Bonds5

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

N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide (PubChem CID 166629293) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide
PubChem CID166629293
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide
SMILESCOc1ccccc1-c1cc(/C=C/c2ccc(C(=O)NO)cc2)ccn1
InChIInChI=1S/C21H18N2O3/c1-26-20-5-3-2-4-18(20)19-14-16(12-13-22-19)7-6-15-8-10-17(11-9-15)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b7-6+
InChIKeyHDJNDIGSGAGDJJ-VOTSOKGWSA-N
XLogP4.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.05
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-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide (CID 166629293) is N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide is COc1ccccc1-c1cc(/C=C/c2ccc(C(=O)NO)cc2)ccn1.
What is the InChIKey of N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
The InChIKey is HDJNDIGSGAGDJJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-20-5-3-2-4-18(20)19-14-16(12-13-22-19)7-6-15-8-10-17(11-9-15)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b7-6+.
What are the key properties of N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(E)-2-[2-(2-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide is sourced from PubChem (CID 166629293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).