methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate

C23H25N5O6 — CID 55962659

About methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate

methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate (PubChem CID 55962659) has the molecular formula C23H25N5O6 and a molecular weight of 467.48 g/mol. Its IUPAC name is methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate
• PubChem CID: 55962659
• Molecular Formula: C23H25N5O6
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.18
• IUPAC Name: methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate
• SMILES: CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(C(=O)NCC(=O)OC)c3)cc(C(C)C)nc21
• InChI: InChI=1S/C23H25N5O6/c1-5-28-19-18(22(32)27-23(28)33)15(10-16(26-19)12(2)3)21(31)25-14-8-6-7-13(9-14)20(30)24-11-17(29)34-4/h6-10,12H,5,11H2,1-4H3,(H,24,30)(H,25,31)(H,27,32,33)
• InChIKey: COFPKJRBJRKJKL-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 152.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate?

The IUPAC name of methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate (CID 55962659) is methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate.

What is the SMILES notation for methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate?

The canonical SMILES for methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate is CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(C(=O)NCC(=O)OC)c3)cc(C(C)C)nc21.

What is the InChIKey of methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate?

The InChIKey is COFPKJRBJRKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6/c1-5-28-19-18(22(32)27-23(28)33)15(10-16(26-19)12(2)3)21(31)25-14-8-6-7-13(9-14)20(30)24-11-17(29)34-4/h6-10,12H,5,11H2,1-4H3,(H,24,30)(H,25,31)(H,27,32,33).

What are the key properties of methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate?

methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate has a molecular weight of 467.48 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 55962659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).