N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide

C24H23N5O5 — CID 53062932

IUPACN-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)c(OC)c1
InChIInChI=1S/C24H23N5O5/c1-33-17-8-9-18(19(14-17)34-2)27-20(30)15-29-22-21(25-11-12-26-22)23(31)28(24(29)32)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,27,30)
InChIKeyVWHPUETZCAQLGZ-UHFFFAOYSA-N
MW461.48 g/mol
LogP1.85
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide (PubChem CID 53062932) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
PubChem CID53062932
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)c(OC)c1
InChIInChI=1S/C24H23N5O5/c1-33-17-8-9-18(19(14-17)34-2)27-20(30)15-29-22-21(25-11-12-26-22)23(31)28(24(29)32)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,27,30)
InChIKeyVWHPUETZCAQLGZ-UHFFFAOYSA-N
XLogP1.85
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53062936
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953
N-(2-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062913
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 53062944
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]-N-(2-methylphenyl)acetamide
CID 53062897
N-cyclopentyl-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062959
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062935
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062947
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16801730

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide (CID 53062932) is N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
The InChIKey is VWHPUETZCAQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-33-17-8-9-18(19(14-17)34-2)27-20(30)15-29-22-21(25-11-12-26-22)23(31)28(24(29)32)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,27,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide has a molecular weight of 461.48 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide is sourced from PubChem (CID 53062932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).