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

C22H27N4O4+ — CID 73451362

IUPACN-(2,4-dimethylphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
SMILESCCOC1=C(CC)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(C)cc3C)C(=O)C12
InChIInChI=1S/C22H26N4O4/c1-6-15-11-23-20-18(19(15)30-7-2)21(28)26(22(29)25(20)5)12-17(27)24-16-9-8-13(3)10-14(16)4/h8-11,18H,6-7,12H2,1-5H3/p+1
InChIKeyIEYOMLDALHPDLC-UHFFFAOYSA-O
MW411.48 g/mol
LogP2.65
Rot. Bonds6

About 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

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 (PubChem CID 73451362) has the molecular formula C22H27N4O4+ and a molecular weight of 411.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
PubChem CID73451362
Molecular FormulaC22H27N4O4+
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-(2,4-dimethylphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
SMILESCCOC1=C(CC)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(C)cc3C)C(=O)C12
InChIInChI=1S/C22H26N4O4/c1-6-15-11-23-20-18(19(15)30-7-2)21(28)26(22(29)25(20)5)12-17(27)24-16-9-8-13(3)10-14(16)4/h8-11,18H,6-7,12H2,1-5H3/p+1
InChIKeyIEYOMLDALHPDLC-UHFFFAOYSA-O
XLogP2.65
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.65
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-dimethoxyphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide
CID 74512669
2-(5-ethoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)-N-(2-methylphenyl)acetamide
CID 73451428
2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 2148314
N-(2,4-dimethylphenyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetamide
CID 18085760
N-(2,4-dimethylphenyl)-2-[(5E)-5-[(2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126184081
ethyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1078224
2-[(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-dimethylphenyl)acetamide
CID 126092074
ethyl (2E)-2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2401370
N-(2,4-dimethylphenyl)-2-[(5E)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126184863
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC1=C(CC)C=NC2=[N+](C)C(=O)N(CC(=O)Nc3ccc(C)cc3C)C(=O)C12.
What is the InChIKey of 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?
The InChIKey is IEYOMLDALHPDLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O4/c1-6-15-11-23-20-18(19(15)30-7-2)21(28)26(22(29)25(20)5)12-17(27)24-16-9-8-13(3)10-14(16)4/h8-11,18H,6-7,12H2,1-5H3/p+1.
What are the key properties of 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?
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 has a molecular weight of 411.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 73451362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).