6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one

C20H18N2O3 — CID 141354574

IUPAC6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one
SMILESO=c1cccc(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[nH]1
InChIInChI=1S/C20H18N2O3/c23-18-10-15(11-19(24)12-18)5-4-14-6-8-16(9-7-14)21-13-17-2-1-3-20(25)22-17/h1-12,21,23-24H,13H2,(H,22,25)/b5-4+
InChIKeyLZQBZJPBWKUVJV-SNAWJCMRSA-N
MW334.38 g/mol
LogP3.57
Rot. Bonds5

About 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one

6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one (PubChem CID 141354574) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one
PubChem CID141354574
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one
SMILESO=c1cccc(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[nH]1
InChIInChI=1S/C20H18N2O3/c23-18-10-15(11-19(24)12-18)5-4-14-6-8-16(9-7-14)21-13-17-2-1-3-20(25)22-17/h1-12,21,23-24H,13H2,(H,22,25)/b5-4+
InChIKeyLZQBZJPBWKUVJV-SNAWJCMRSA-N
XLogP3.57
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-[4-(butylamino)phenyl]ethenyl]benzene-1,3-diol
CID 134602879
5-[(E)-2-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylamino]phenyl]ethenyl]benzene-1,3-diol
CID 141354573
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
CID 173073405
5-[(E)-2-[4-(sulfanylmethyl)phenyl]ethenyl]benzene-1,3-diol
CID 87118922
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
CID 67605326
2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]acetamide
CID 68956435
(6-oxo-1H-pyridin-2-yl)methylazanide
CID 144577092
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;pyrrolidin-2-one
CID 161345511

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one (CID 141354574) is 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one is O=c1cccc(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[nH]1.
What is the InChIKey of 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one?
The InChIKey is LZQBZJPBWKUVJV-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-18-10-15(11-19(24)12-18)5-4-14-6-8-16(9-7-14)21-13-17-2-1-3-20(25)22-17/h1-12,21,23-24H,13H2,(H,22,25)/b5-4+.
What are the key properties of 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one?
6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]anilino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 141354574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).