2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide

C19H13N3O5 — CID 121090653

IUPAC2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C19H13N3O5/c23-17(21-14-8-12-4-1-2-5-15(12)27-19(14)25)10-22-11-20-13(9-18(22)24)16-6-3-7-26-16/h1-9,11H,10H2,(H,21,23)
InChIKeyCDSOTZJINGTGAS-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide (PubChem CID 121090653) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
PubChem CID121090653
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C19H13N3O5/c23-17(21-14-8-12-4-1-2-5-15(12)27-19(14)25)10-22-11-20-13(9-18(22)24)16-6-3-7-26-16/h1-9,11H,10H2,(H,21,23)
InChIKeyCDSOTZJINGTGAS-UHFFFAOYSA-N
XLogP2.25
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
CID 121051465
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
N-ethyl-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 121090622
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121090748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide (CID 121090653) is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide is O=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc2ccccc2oc1=O.
What is the InChIKey of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
The InChIKey is CDSOTZJINGTGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c23-17(21-14-8-12-4-1-2-5-15(12)27-19(14)25)10-22-11-20-13(9-18(22)24)16-6-3-7-26-16/h1-9,11H,10H2,(H,21,23).
What are the key properties of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide has a molecular weight of 363.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 121090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).