1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C22H25N5O5S — CID 30839985

About 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 30839985) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
• PubChem CID: 30839985
• Molecular Formula: C22H25N5O5S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.16
• IUPAC Name: 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
• InChI: InChI=1S/C22H25N5O5S/c1-14-7-8-15(33(31,32)27-11-5-4-6-12-27)13-18(14)24-20(28)17-10-9-16-19(23-17)25(2)22(30)26(3)21(16)29/h7-10,13H,4-6,11-12H2,1-3H3,(H,24,28)
• InChIKey: BGVKBIGXTYTMKK-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 123.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 30839985) is 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.

What is the InChIKey of 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?

The InChIKey is BGVKBIGXTYTMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-14-7-8-15(33(31,32)27-11-5-4-6-12-27)13-18(14)24-20(28)17-10-9-16-19(23-17)25(2)22(30)26(3)21(16)29/h7-10,13H,4-6,11-12H2,1-3H3,(H,24,28).

What are the key properties of 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?

1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 30839985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).