(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide

C16H11N3O5 — CID 108794202

IUPAC(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2ccccc2c1=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H11N3O5/c20-13(18-11-7-17-16(23)19-15(11)22)6-5-9-8-24-12-4-2-1-3-10(12)14(9)21/h1-8H,(H,18,20)(H2,17,19,22,23)/b6-5+
InChIKeyYDTLHYIKDXYQMD-AATRIKPKSA-N
MW325.28 g/mol
LogP0.82
Rot. Bonds3

About (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide

(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108794202) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
PubChem CID108794202
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2ccccc2c1=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H11N3O5/c20-13(18-11-7-17-16(23)19-15(11)22)6-5-9-8-24-12-4-2-1-3-10(12)14(9)21/h1-8H,(H,18,20)(H2,17,19,22,23)/b6-5+
InChIKeyYDTLHYIKDXYQMD-AATRIKPKSA-N
XLogP0.82
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805868
(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805864
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108745072
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
(E)-3-(4-oxochromen-3-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]prop-2-enamide
CID 108747825
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805807
(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108794040
(E)-N-(6-hydroxyhexyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805840
3-[[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 108745448
(E)-N-(4-butoxyphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794158
2-[[4-[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]benzoyl]amino]acetic acid
CID 108794172
(E)-3-(4-oxochromen-3-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108727461

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide (CID 108794202) is (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide is O=C(/C=C/c1coc2ccccc2c1=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is YDTLHYIKDXYQMD-AATRIKPKSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-13(18-11-7-17-16(23)19-15(11)22)6-5-9-8-24-12-4-2-1-3-10(12)14(9)21/h1-8H,(H,18,20)(H2,17,19,22,23)/b6-5+.
What are the key properties of (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide?
(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 325.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).