N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide

C24H20N4O5 — CID 10252886

About N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide (PubChem CID 10252886) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
• PubChem CID: 10252886
• Molecular Formula: C24H20N4O5
• Molecular Weight: 444.45 g/mol
• Exact Mass: 444.14
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
• SMILES: Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ncc21
• InChI: InChI=1S/C24H20N4O5/c1-27-19-12-25-18(22(29)26-11-16-7-8-20-21(9-16)33-14-32-20)10-17(19)23(30)28(24(27)31)13-15-5-3-2-4-6-15/h2-10,12H,11,13-14H2,1H3,(H,26,29)
• InChIKey: OGIOFSPBUNCVQL-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide (CID 10252886) is N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide is Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ncc21.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide?

The InChIKey is OGIOFSPBUNCVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-27-19-12-25-18(22(29)26-11-16-7-8-20-21(9-16)33-14-32-20)10-17(19)23(30)28(24(27)31)13-15-5-3-2-4-6-15/h2-10,12H,11,13-14H2,1H3,(H,26,29).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide?

N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 10252886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).