N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide

C26H26N4O5 — CID 17250713

IUPACN-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C26H26N4O5/c1-5-35-20-12-8-6-10-18(20)28-22(31)15-29-25(32)23-16(2)14-17(3)27-24(23)30(26(29)33)19-11-7-9-13-21(19)34-4/h6-14H,5,15H2,1-4H3,(H,28,31)
InChIKeyVTKWDWJTTGIEMF-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.21
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide

N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 17250713) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID17250713
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC NameN-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C26H26N4O5/c1-5-35-20-12-8-6-10-18(20)28-22(31)15-29-25(32)23-16(2)14-17(3)27-24(23)30(26(29)33)19-11-7-9-13-21(19)34-4/h6-14H,5,15H2,1-4H3,(H,28,31)
InChIKeyVTKWDWJTTGIEMF-UHFFFAOYSA-N
XLogP3.21
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-difluorophenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250614
N-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250594
N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 50811242
1-(2-methoxyphenyl)-5,7-dimethyl-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250585
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369
N-(2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 25238568
3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250632
N-(4-bromo-2-fluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17251346
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 17250529
methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50811171
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 17250713) is N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide is CCOc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2OC)c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is VTKWDWJTTGIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-5-35-20-12-8-6-10-18(20)28-22(31)15-29-25(32)23-16(2)14-17(3)27-24(23)30(26(29)33)19-11-7-9-13-21(19)34-4/h6-14H,5,15H2,1-4H3,(H,28,31).
What are the key properties of N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 474.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 17250713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).