2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide

C23H20N4O3 — CID 41240396

IUPAC2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)14-27-22(29)21-19(8-5-13-24-21)26(23(27)30)15-20(28)25-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyQJPLHOSUFDNCSD-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.55
Rot. Bonds5

About 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide

2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide (PubChem CID 41240396) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
PubChem CID41240396
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)14-27-22(29)21-19(8-5-13-24-21)26(23(27)30)15-20(28)25-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyQJPLHOSUFDNCSD-UHFFFAOYSA-N
XLogP2.55
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide (CID 41240396) is 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide is Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is QJPLHOSUFDNCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)14-27-22(29)21-19(8-5-13-24-21)26(23(27)30)15-20(28)25-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 400.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 41240396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).