ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate

C23H19N3O4 — CID 70822166

IUPACethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1-c1ccccc1)c(=O)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C23H19N3O4/c1-3-30-22(28)17-14(2)24-20-19(18(17)15-10-6-4-7-11-15)21(27)25-23(29)26(20)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,25,27,29)
InChIKeyWILZIXIEILQBSJ-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.23
Rot. Bonds4

About ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 70822166) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID70822166
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Nameethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1-c1ccccc1)c(=O)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C23H19N3O4/c1-3-30-22(28)17-14(2)24-20-19(18(17)15-10-6-4-7-11-15)21(27)25-23(29)26(20)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,25,27,29)
InChIKeyWILZIXIEILQBSJ-UHFFFAOYSA-N
XLogP3.23
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-amino-1-methyl-4-oxo-5-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxylate
CID 102410512
ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
ethyl 3-(4-fluorophenyl)-2-oxo-7-phenyl-4-sulfanylidene-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 136721353
ethyl 5-formyl-1,2,4-triphenylpyrrole-3-carboxylate
CID 102185335
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 5-methyl-4-oxo-2-phenyl-3H-thieno[3,4-d]pyrimidine-7-carboxylate
CID 135495590
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 70822166) is ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)c(=O)[nH]c(=O)n2-c1ccccc1.
What is the InChIKey of ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WILZIXIEILQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-3-30-22(28)17-14(2)24-20-19(18(17)15-10-6-4-7-11-15)21(27)25-23(29)26(20)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,25,27,29).
What are the key properties of ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,4-dioxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 70822166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).