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

C19H21N4O4+ — CID 73451428

IUPAC2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide
SMILESCCOC1=CC=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccccc3C)C(=O)C12
InChIInChI=1S/C19H20N4O4/c1-4-27-14-9-10-20-17-16(14)18(25)23(19(26)22(17)3)11-15(24)21-13-8-6-5-7-12(13)2/h5-10,16H,4,11H2,1-3H3/p+1
InChIKeyRNOXFZUWESTOIG-UHFFFAOYSA-O
MW369.40 g/mol
LogP1.56
Rot. Bonds5

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

2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide (PubChem CID 73451428) has the molecular formula C19H21N4O4+ and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide
PubChem CID73451428
Molecular FormulaC19H21N4O4+
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide
SMILESCCOC1=CC=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccccc3C)C(=O)C12
InChIInChI=1S/C19H20N4O4/c1-4-27-14-9-10-20-17-16(14)18(25)23(19(26)22(17)3)11-15(24)21-13-8-6-5-7-12(13)2/h5-10,16H,4,11H2,1-3H3/p+1
InChIKeyRNOXFZUWESTOIG-UHFFFAOYSA-O
XLogP1.56
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.56
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

2-[8-(4-ethoxyphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]-N-(2-methylphenyl)acetamide
CID 16898326
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 7699408
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-ethoxyphenyl)acetamide
CID 2148360
2-[(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 126160564
N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091095
2-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 6201661
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
2-(3-chloro-2-oxopyrazin-1-yl)-N-(2-methylphenyl)acetamide
CID 114561768
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 9042802

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide (CID 73451428) is 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide is CCOC1=CC=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccccc3C)C(=O)C12.
What is the InChIKey of 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is RNOXFZUWESTOIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N4O4/c1-4-27-14-9-10-20-17-16(14)18(25)23(19(26)22(17)3)11-15(24)21-13-8-6-5-7-12(13)2/h5-10,16H,4,11H2,1-3H3/p+1.
What are the key properties of 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide?
2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 73451428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).