N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide

C24H24N4O3S — CID 16841925

IUPACN-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C24H24N4O3S/c1-2-3-6-17-9-11-18(12-10-17)26-21(29)16-27-20-8-4-13-25-22(20)23(30)28(24(27)31)15-19-7-5-14-32-19/h4-5,7-14H,2-3,6,15-16H2,1H3,(H,26,29)
InChIKeyDGBUAYRGPAWEPJ-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.65
Rot. Bonds8

About N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide

N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 16841925) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID16841925
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C24H24N4O3S/c1-2-3-6-17-9-11-18(12-10-17)26-21(29)16-27-20-8-4-13-25-22(20)23(30)28(24(27)31)15-19-7-5-14-32-19/h4-5,7-14H,2-3,6,15-16H2,1H3,(H,26,29)
InChIKeyDGBUAYRGPAWEPJ-UHFFFAOYSA-N
XLogP3.65
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16841958
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505529
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 16951903
4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide
CID 27555504
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16952012
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951989
N-(4-butylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46922573
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 41233466
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16842022

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 16841925) is N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is CCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is DGBUAYRGPAWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-2-3-6-17-9-11-18(12-10-17)26-21(29)16-27-20-8-4-13-25-22(20)23(30)28(24(27)31)15-19-7-5-14-32-19/h4-5,7-14H,2-3,6,15-16H2,1H3,(H,26,29).
What are the key properties of N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 448.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 16841925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).