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

C23H21N5O4 — CID 53062936

IUPAC2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)cc1
InChIInChI=1S/C23H21N5O4/c1-32-18-9-7-17(8-10-18)26-19(29)15-28-21-20(24-12-13-25-21)22(30)27(23(28)31)14-11-16-5-3-2-4-6-16/h2-10,12-13H,11,14-15H2,1H3,(H,26,29)
InChIKeyZHCJOWLLHNYWSR-UHFFFAOYSA-N
MW431.45 g/mol
LogP1.84
Rot. Bonds7

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

2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 53062936) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID53062936
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)cc1
InChIInChI=1S/C23H21N5O4/c1-32-18-9-7-17(8-10-18)26-19(29)15-28-21-20(24-12-13-25-21)22(30)27(23(28)31)14-11-16-5-3-2-4-6-16/h2-10,12-13H,11,14-15H2,1H3,(H,26,29)
InChIKeyZHCJOWLLHNYWSR-UHFFFAOYSA-N
XLogP1.84
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062932
N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062935
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062947
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505529
N-cyclopentyl-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062959
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 53062944
2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993894

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 53062936) is 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)cc1.
What is the InChIKey of 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZHCJOWLLHNYWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-32-18-9-7-17(8-10-18)26-19(29)15-28-21-20(24-12-13-25-21)22(30)27(23(28)31)14-11-16-5-3-2-4-6-16/h2-10,12-13H,11,14-15H2,1H3,(H,26,29).
What are the key properties of 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 431.45 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53062936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).