N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C20H17N3O6 — CID 4113281

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1
InChIInChI=1S/C20H17N3O6/c1-27-14-4-2-3-13(10-14)23-19(25)15(11-21-20(23)26)18(24)22-12-5-6-16-17(9-12)29-8-7-28-16/h2-6,9-11H,7-8H2,1H3,(H,21,26)(H,22,24)
InChIKeyZLCSMMHXNOYSDE-UHFFFAOYSA-N
MW395.37 g/mol
LogP1.56
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 4113281) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID4113281
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1
InChIInChI=1S/C20H17N3O6/c1-27-14-4-2-3-13(10-14)23-19(25)15(11-21-20(23)26)18(24)22-12-5-6-16-17(9-12)29-8-7-28-16/h2-6,9-11H,7-8H2,1H3,(H,21,26)(H,22,24)
InChIKeyZLCSMMHXNOYSDE-UHFFFAOYSA-N
XLogP1.56
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 4113281) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZLCSMMHXNOYSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6/c1-27-14-4-2-3-13(10-14)23-19(25)15(11-21-20(23)26)18(24)22-12-5-6-16-17(9-12)29-8-7-28-16/h2-6,9-11H,7-8H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4113281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).