2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

C25H24N4O4 — CID 16801733

IUPAC2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C25H24N4O4/c1-33-20-11-9-19(10-12-20)16-29-24(31)23-21(8-5-14-27-23)28(25(29)32)17-22(30)26-15-13-18-6-3-2-4-7-18/h2-12,14H,13,15-17H2,1H3,(H,26,30)
InChIKeyFAAYTWSSZQCORG-UHFFFAOYSA-N
MW444.49 g/mol
LogP1.97
Rot. Bonds8

About 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 16801733) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID16801733
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C25H24N4O4/c1-33-20-11-9-19(10-12-20)16-29-24(31)23-21(8-5-14-27-23)28(25(29)32)17-22(30)26-15-13-18-6-3-2-4-7-18/h2-12,14H,13,15-17H2,1H3,(H,26,30)
InChIKeyFAAYTWSSZQCORG-UHFFFAOYSA-N
XLogP1.97
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18569546
N-(furan-2-ylmethyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569433
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16801730
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 41240694
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41233512
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 41233466
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3577760
3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569435
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 27655945

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide (CID 16801733) is 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is FAAYTWSSZQCORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-33-20-11-9-19(10-12-20)16-29-24(31)23-21(8-5-14-27-23)28(25(29)32)17-22(30)26-15-13-18-6-3-2-4-7-18/h2-12,14H,13,15-17H2,1H3,(H,26,30).
What are the key properties of 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 444.49 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16801733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).