ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate

C22H24N4O6 — CID 41157839

IUPACethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(OC)c(CC)cnc2n(C)c1=O
InChIInChI=1S/C22H24N4O6/c1-5-13-11-23-19-17(18(13)31-4)20(28)26(22(30)25(19)3)12-16(27)24-15-10-8-7-9-14(15)21(29)32-6-2/h7-11H,5-6,12H2,1-4H3,(H,24,27)
InChIKeyKYQSRXIEHMHIJQ-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.48
Rot. Bonds7

About ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate

ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate (PubChem CID 41157839) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
PubChem CID41157839
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Nameethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(OC)c(CC)cnc2n(C)c1=O
InChIInChI=1S/C22H24N4O6/c1-5-13-11-23-19-17(18(13)31-4)20(28)26(22(30)25(19)3)12-16(27)24-15-10-8-7-9-14(15)21(29)32-6-2/h7-11H,5-6,12H2,1-4H3,(H,24,27)
InChIKeyKYQSRXIEHMHIJQ-UHFFFAOYSA-N
XLogP1.48
TPSA121.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 18567230
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 18567245
N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18567331
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-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide
CID 18567323
6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 18567212
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
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
CID 7748491
ethyl 3-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238552
N-(3-chloro-4-methylphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841348
N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate (CID 41157839) is ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(OC)c(CC)cnc2n(C)c1=O.
What is the InChIKey of ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The InChIKey is KYQSRXIEHMHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c1-5-13-11-23-19-17(18(13)31-4)20(28)26(22(30)25(19)3)12-16(27)24-15-10-8-7-9-14(15)21(29)32-6-2/h7-11H,5-6,12H2,1-4H3,(H,24,27).
What are the key properties of ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate has a molecular weight of 440.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 41157839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).