N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C15H12N4O5 — CID 714768

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C15H12N4O5/c20-11-5-6-12(21)19(11)9-3-1-8(2-4-9)13(22)17-10-7-16-15(24)18-14(10)23/h1-4,7H,5-6H2,(H,17,22)(H2,16,18,23,24)
InChIKeyCGNUNNZXLIXABQ-UHFFFAOYSA-N
MW328.28 g/mol
LogP-0.03
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 714768) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID714768
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C15H12N4O5/c20-11-5-6-12(21)19(11)9-3-1-8(2-4-9)13(22)17-10-7-16-15(24)18-14(10)23/h1-4,7H,5-6H2,(H,17,22)(H2,16,18,23,24)
InChIKeyCGNUNNZXLIXABQ-UHFFFAOYSA-N
XLogP-0.03
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 714768) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is CGNUNNZXLIXABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c20-11-5-6-12(21)19(11)9-3-1-8(2-4-9)13(22)17-10-7-16-15(24)18-14(10)23/h1-4,7H,5-6H2,(H,17,22)(H2,16,18,23,24).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 328.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 714768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).