2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide

C22H27N4O4+ — CID 73451365

IUPAC2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCOC1=C(CC)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(CC)cc3)C(=O)C12
InChIInChI=1S/C22H26N4O4/c1-5-14-8-10-16(11-9-14)24-17(27)13-26-21(28)18-19(30-7-3)15(6-2)12-23-20(18)25(4)22(26)29/h8-12,18H,5-7,13H2,1-4H3/p+1
InChIKeyGTXUFUQQNPRTSE-UHFFFAOYSA-O
MW411.48 g/mol
LogP2.59
Rot. Bonds7

About 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide

2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 73451365) has the molecular formula C22H27N4O4+ and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide
PubChem CID73451365
Molecular FormulaC22H27N4O4+
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCOC1=C(CC)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(CC)cc3)C(=O)C12
InChIInChI=1S/C22H26N4O4/c1-5-14-8-10-16(11-9-14)24-17(27)13-26-21(28)18-19(30-7-3)15(6-2)12-23-20(18)25(4)22(26)29/h8-12,18H,5-7,13H2,1-4H3/p+1
InChIKeyGTXUFUQQNPRTSE-UHFFFAOYSA-O
XLogP2.59
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
CID 73451362
N-(3-chloro-4-methylphenyl)-2-(5-ethoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
CID 74512810
2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 73451453
methyl 5-[(5-ethoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)methyl]furan-2-carboxylate
CID 73451334
2-[(5E)-5-[(2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide
CID 126185697
2-[(6-ethyl-1,3-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-5-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 73452548
N-(4-ethylphenyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 4843029
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
ethyl 4-[[2-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetyl]amino]benzoate
CID 17033565
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
ethyl 4-[[2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetyl]amino]benzoate
CID 7172834
N-(4-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4877686

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide (CID 73451365) is 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide is CCOC1=C(CC)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(CC)cc3)C(=O)C12.
What is the InChIKey of 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is GTXUFUQQNPRTSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O4/c1-5-14-8-10-16(11-9-14)24-17(27)13-26-21(28)18-19(30-7-3)15(6-2)12-23-20(18)25(4)22(26)29/h8-12,18H,5-7,13H2,1-4H3/p+1.
What are the key properties of 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide?
2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 73451365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).