N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C22H26N4O6 — CID 18567331

IUPACN-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C
InChIInChI=1S/C22H26N4O6/c1-6-13-11-23-20-18(19(13)32-7-2)21(28)26(22(29)25(20)3)12-17(27)24-14-8-9-15(30-4)16(10-14)31-5/h8-11H,6-7,12H2,1-5H3,(H,24,27)
InChIKeyXMNMHXBUZIHYLL-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.71
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 18567331) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID18567331
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C
InChIInChI=1S/C22H26N4O6/c1-6-13-11-23-20-18(19(13)32-7-2)21(28)26(22(29)25(20)3)12-17(27)24-14-8-9-15(30-4)16(10-14)31-5/h8-11H,6-7,12H2,1-5H3,(H,24,27)
InChIKeyXMNMHXBUZIHYLL-UHFFFAOYSA-N
XLogP1.71
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide
CID 18567323
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 18567230
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 18567245
2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-diethylacetamide
CID 18567353
N-(3-chloro-4-methylphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841348
ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 41157839
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
CID 26841320
4-[[2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 26841341
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18567398
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18567247
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-nitrophenyl)acetamide
CID 41157780

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 18567331) is N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is XMNMHXBUZIHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-6-13-11-23-20-18(19(13)32-7-2)21(28)26(22(29)25(20)3)12-17(27)24-14-8-9-15(30-4)16(10-14)31-5/h8-11H,6-7,12H2,1-5H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 442.47 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18567331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).