1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid

C10H9N3O4 — CID 24697854

IUPAC1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCn1c(=O)c2ccc(C(=O)O)nc2n(C)c1=O
InChIInChI=1S/C10H9N3O4/c1-12-7-5(8(14)13(2)10(12)17)3-4-6(11-7)9(15)16/h3-4H,1-2H3,(H,15,16)
InChIKeyISNFJIYLRSGGKX-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.67
Rot. Bonds1

About 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid

1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 24697854) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID24697854
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCn1c(=O)c2ccc(C(=O)O)nc2n(C)c1=O
InChIInChI=1S/C10H9N3O4/c1-12-7-5(8(14)13(2)10(12)17)3-4-6(11-7)9(15)16/h3-4H,1-2H3,(H,15,16)
InChIKeyISNFJIYLRSGGKX-UHFFFAOYSA-N
XLogP-0.67
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid 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 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid (CID 24697854) is 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid is Cn1c(=O)c2ccc(C(=O)O)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is ISNFJIYLRSGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-12-7-5(8(14)13(2)10(12)17)3-4-6(11-7)9(15)16/h3-4H,1-2H3,(H,15,16).
What are the key properties of 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 24697854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).