2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide

C18H20N4O4 — CID 136664836

IUPAC2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1)C(=O)c1ccco1
InChIInChI=1S/C18H20N4O4/c23-15-10-13(20-18(21-15)22-5-1-2-6-22)11-8-12(9-11)19-17(25)16(24)14-4-3-7-26-14/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,19,25)(H,20,21,23)
InChIKeyGJQJZULVSGBASO-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.21
Rot. Bonds5

About 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide

2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide (PubChem CID 136664836) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide
PubChem CID136664836
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1)C(=O)c1ccco1
InChIInChI=1S/C18H20N4O4/c23-15-10-13(20-18(21-15)22-5-1-2-6-22)11-8-12(9-11)19-17(25)16(24)14-4-3-7-26-14/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,19,25)(H,20,21,23)
InChIKeyGJQJZULVSGBASO-UHFFFAOYSA-N
XLogP1.21
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide (CID 136664836) is 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide is O=C(NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1)C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The InChIKey is GJQJZULVSGBASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-15-10-13(20-18(21-15)22-5-1-2-6-22)11-8-12(9-11)19-17(25)16(24)14-4-3-7-26-14/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,19,25)(H,20,21,23).
What are the key properties of 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-oxo-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]acetamide is sourced from PubChem (CID 136664836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).