ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate

C25H22N4O6 — CID 4784449

IUPACethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1
InChIInChI=1S/C25H22N4O6/c1-3-35-24(32)17-13-19(18-11-7-8-12-26-18)27-22-21(17)23(31)29(15-20(30)34-2)25(33)28(22)14-16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3
InChIKeyWSOLAUSUIRUHNT-UHFFFAOYSA-N
MW474.47 g/mol
LogP2.02
Rot. Bonds7

About ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 4784449) has the molecular formula C25H22N4O6 and a molecular weight of 474.47 g/mol. Its IUPAC name is ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID4784449
Molecular FormulaC25H22N4O6
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC Nameethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1
InChIInChI=1S/C25H22N4O6/c1-3-35-24(32)17-13-19(18-11-7-8-12-26-18)27-22-21(17)23(31)29(15-20(30)34-2)25(33)28(22)14-16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3
InChIKeyWSOLAUSUIRUHNT-UHFFFAOYSA-N
XLogP2.02
TPSA122.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 4784449) is ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is WSOLAUSUIRUHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O6/c1-3-35-24(32)17-13-19(18-11-7-8-12-26-18)27-22-21(17)23(31)29(15-20(30)34-2)25(33)28(22)14-16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3.
What are the key properties of ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 474.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 4784449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).