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

C21H18N2O3 — CID 166626318

IUPACN-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide
SMILESCOc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1
InChIInChI=1S/C21H18N2O3/c1-26-19-10-8-17(9-11-19)20-14-16(12-13-22-20)3-2-15-4-6-18(7-5-15)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b3-2+
InChIKeyHXSCYJUDKNTYLK-NSCUHMNNSA-N
MW346.39 g/mol
LogP4.05
Rot. Bonds5

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

N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide (PubChem CID 166626318) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide
PubChem CID166626318
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide
SMILESCOc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1
InChIInChI=1S/C21H18N2O3/c1-26-19-10-8-17(9-11-19)20-14-16(12-13-22-20)3-2-15-4-6-18(7-5-15)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b3-2+
InChIKeyHXSCYJUDKNTYLK-NSCUHMNNSA-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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Related Compounds

Pci-34051
CID 24753719
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Pyrrolopyridine, 29
CID 16720207
Wwl70
CID 17759121
Aminopyridine N-oxide, 55
CID 24744181
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide (CID 166626318) is N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide is COc1ccc(-c2cc(/C=C/c3ccc(C(=O)NO)cc3)ccn2)cc1.
What is the InChIKey of N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
The InChIKey is HXSCYJUDKNTYLK-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-19-10-8-17(9-11-19)20-14-16(12-13-22-20)3-2-15-4-6-18(7-5-15)21(24)23-25/h2-14,25H,1H3,(H,23,24)/b3-2+.
What are the key properties of N-hydroxy-4-[(E)-2-[2-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide?
N-hydroxy-4-[(E)-2-[2-(4-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-(4-methoxyphenyl)-4-pyridinyl]ethenyl]benzamide is sourced from PubChem (CID 166626318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).