N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide

C14H13N5O3 — CID 916048

IUPACN-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
SMILESCC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1
InChIInChI=1S/C14H13N5O3/c1-7(20)15-8-4-5-9-10(6-8)17-12-11(16-9)13(21)19(3)14(22)18(12)2/h4-6H,1-3H3,(H,15,20)
InChIKeyJRMBEELGYJQJQY-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.14
Rot. Bonds1

About N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide

N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide (PubChem CID 916048) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
PubChem CID916048
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide
SMILESCC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1
InChIInChI=1S/C14H13N5O3/c1-7(20)15-8-4-5-9-10(6-8)17-12-11(16-9)13(21)19(3)14(22)18(12)2/h4-6H,1-3H3,(H,15,20)
InChIKeyJRMBEELGYJQJQY-UHFFFAOYSA-N
XLogP0.14
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide (CID 916048) is N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide is CC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
The InChIKey is JRMBEELGYJQJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-7(20)15-8-4-5-9-10(6-8)17-12-11(16-9)13(21)19(3)14(22)18(12)2/h4-6H,1-3H3,(H,15,20).
What are the key properties of N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide?
N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide has a molecular weight of 299.29 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)acetamide is sourced from PubChem (CID 916048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).