(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide

C22H18N2O3 — CID 166627669

IUPAC(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1)NO
InChIInChI=1S/C22H18N2O3/c25-21-4-2-1-3-19(21)20-15-18(13-14-23-20)10-9-16-5-7-17(8-6-16)11-12-22(26)24-27/h1-15,25,27H,(H,24,26)/b10-9+,12-11+
InChIKeyKOFCMONICSRKSM-HULFFUFUSA-N
MW358.40 g/mol
LogP4.14
Rot. Bonds5

About (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide (PubChem CID 166627669) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide
PubChem CID166627669
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1)NO
InChIInChI=1S/C22H18N2O3/c25-21-4-2-1-3-19(21)20-15-18(13-14-23-20)10-9-16-5-7-17(8-6-16)11-12-22(26)24-27/h1-15,25,27H,(H,24,26)/b10-9+,12-11+
InChIKeyKOFCMONICSRKSM-HULFFUFUSA-N
XLogP4.14
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile
CID 174884177
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
CID 166634188
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
3-[2-[4-(2-carboxyethenyl)-2-pyridinyl]-4-pyridinyl]prop-2-enoic acid
CID 66811759
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
4-[2-(2-pyridin-2-yl-4-pyridinyl)ethenyl]benzaldehyde
CID 54562489
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid
CID 58250279
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide (CID 166627669) is (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide?
The InChIKey is KOFCMONICSRKSM-HULFFUFUSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21-4-2-1-3-19(21)20-15-18(13-14-23-20)10-9-16-5-7-17(8-6-16)11-12-22(26)24-27/h1-15,25,27H,(H,24,26)/b10-9+,12-11+.
What are the key properties of (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166627669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).