2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide

C16H16N4O5 — CID 135535940

IUPAC2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
SMILESC=CCn1c(O)c(/C(C)=N/NC(=O)c2ccccc2O)c(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O5/c1-3-8-20-15(24)12(14(23)17-16(20)25)9(2)18-19-13(22)10-6-4-5-7-11(10)21/h3-7,21,24H,1,8H2,2H3,(H,19,22)(H,17,23,25)/b18-9+
InChIKeyKSGVZJQHLJHYLL-GIJQJNRQSA-N
MW344.33 g/mol
LogP0.29
Rot. Bonds5

About 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide

2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide (PubChem CID 135535940) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
PubChem CID135535940
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
SMILESC=CCn1c(O)c(/C(C)=N/NC(=O)c2ccccc2O)c(=O)[nH]c1=O
InChIInChI=1S/C16H16N4O5/c1-3-8-20-15(24)12(14(23)17-16(20)25)9(2)18-19-13(22)10-6-4-5-7-11(10)21/h3-7,21,24H,1,8H2,2H3,(H,19,22)(H,17,23,25)/b18-9+
InChIKeyKSGVZJQHLJHYLL-GIJQJNRQSA-N
XLogP0.29
TPSA136.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
CID 135398902
6-hydroxy-5-[C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 1400188
6-hydroxy-5-[(E)-C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 135535942
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide
CID 135795770
2-hydroxy-N-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzamide
CID 1415643
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-1-[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]propylideneamino]-2-hydroxybenzamide
CID 137199716
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 136746545
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
2-chloro-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)propylideneamino]benzamide
CID 135398908
2-hydroxy-N-[1-[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 136601539

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide (CID 135535940) is 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide is C=CCn1c(O)c(/C(C)=N/NC(=O)c2ccccc2O)c(=O)[nH]c1=O.
What is the InChIKey of 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide?
The InChIKey is KSGVZJQHLJHYLL-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-3-8-20-15(24)12(14(23)17-16(20)25)9(2)18-19-13(22)10-6-4-5-7-11(10)21/h3-7,21,24H,1,8H2,2H3,(H,19,22)(H,17,23,25)/b18-9+.
What are the key properties of 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide?
2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide has a molecular weight of 344.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide is sourced from PubChem (CID 135535940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).