1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid

C14H14N4O5 — CID 122133009

About 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid

1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 122133009) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid
• PubChem CID: 122133009
• Molecular Formula: C14H14N4O5
• Molecular Weight: 318.29 g/mol
• Exact Mass: 318.10
• IUPAC Name: 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid
• SMILES: Cc1cc(C(=O)N2CCCC2C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12
• InChI: InChI=1S/C14H14N4O5/c1-6-5-7(12(20)18-4-2-3-8(18)13(21)22)15-10-9(6)11(19)17-14(23)16-10/h5,8H,2-4H2,1H3,(H,21,22)(H2,15,16,17,19,23)
• InChIKey: UYDRAGLTBSOTOV-UHFFFAOYSA-N
• XLogP: -0.39
• TPSA: 136.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.29
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid?

The IUPAC name of 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid (CID 122133009) is 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid?

The canonical SMILES for 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCC2C(=O)O)nc2[nH]c(=O)[nH]c(=O)c12.

What is the InChIKey of 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid?

The InChIKey is UYDRAGLTBSOTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5/c1-6-5-7(12(20)18-4-2-3-8(18)13(21)22)15-10-9(6)11(19)17-14(23)16-10/h5,8H,2-4H2,1H3,(H,21,22)(H2,15,16,17,19,23).

What are the key properties of 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid?

1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 318.29 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122133009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).