N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C18H16N4O5 — CID 121025685

IUPACN-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)c1
InChIInChI=1S/C18H16N4O5/c1-11(23)20-12-4-2-5-13(8-12)21-16(24)15-9-19-18(26)22(17(15)25)10-14-6-3-7-27-14/h2-9H,10H2,1H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyGPFBHSGUNPIQLB-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.39
Rot. Bonds5

About N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025685) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025685
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)c1
InChIInChI=1S/C18H16N4O5/c1-11(23)20-12-4-2-5-13(8-12)21-16(24)15-9-19-18(26)22(17(15)25)10-14-6-3-7-27-14/h2-9H,10H2,1H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyGPFBHSGUNPIQLB-UHFFFAOYSA-N
XLogP1.39
TPSA126.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025685) is N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2c[nH]c(=O)n(Cc3ccco3)c2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GPFBHSGUNPIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11(23)20-12-4-2-5-13(8-12)21-16(24)15-9-19-18(26)22(17(15)25)10-14-6-3-7-27-14/h2-9H,10H2,1H3,(H,19,26)(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 368.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).