N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide

C17H13N3O5 — CID 110331957

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C17H13N3O5/c21-16(18-10-3-4-14-15(8-10)25-7-6-24-14)12-9-11(19-17(22)20-12)13-2-1-5-23-13/h1-5,8-9H,6-7H2,(H,18,21)(H,19,20,22)
InChIKeyXEZBJBZUGTXLMU-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.05
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 110331957) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID110331957
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C17H13N3O5/c21-16(18-10-3-4-14-15(8-10)25-7-6-24-14)12-9-11(19-17(22)20-12)13-2-1-5-23-13/h1-5,8-9H,6-7H2,(H,18,21)(H,19,20,22)
InChIKeyXEZBJBZUGTXLMU-UHFFFAOYSA-N
XLogP2.05
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331954
6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
CID 110331915
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
6-N-cyclopropyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
CID 109093973
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 6404292
5-(furan-2-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-3-carboxamide
CID 166205666
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 110331957) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccco2)[nH]c(=O)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is XEZBJBZUGTXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-16(18-10-3-4-14-15(8-10)25-7-6-24-14)12-9-11(19-17(22)20-12)13-2-1-5-23-13/h1-5,8-9H,6-7H2,(H,18,21)(H,19,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).