2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid

C17H15N3O4 — CID 4962857

IUPAC2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C17H15N3O4/c1-2-8-20-14-13(15(21)19-17(20)24)11(16(22)23)9-12(18-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,22,23)(H,19,21,24)
InChIKeyGLAUQFHURQLJCP-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.86
Rot. Bonds4

About 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid

2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 4962857) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID4962857
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C17H15N3O4/c1-2-8-20-14-13(15(21)19-17(20)24)11(16(22)23)9-12(18-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,22,23)(H,19,21,24)
InChIKeyGLAUQFHURQLJCP-UHFFFAOYSA-N
XLogP1.86
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-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 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid (CID 4962857) is 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid is CCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc21.
What is the InChIKey of 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is GLAUQFHURQLJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-2-8-20-14-13(15(21)19-17(20)24)11(16(22)23)9-12(18-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,22,23)(H,19,21,24).
What are the key properties of 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-7-phenyl-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 4962857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).