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

C24H21N3O4 — CID 3076489

IUPACethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C24H21N3O4/c1-3-31-23(29)19-14-16(2)25-21-20(19)22(28)27(18-12-8-5-9-13-18)24(30)26(21)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKeyQHEGLSBAXUWAHE-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.08
Rot. Bonds5

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

ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 3076489) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID3076489
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Nameethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C24H21N3O4/c1-3-31-23(29)19-14-16(2)25-21-20(19)22(28)27(18-12-8-5-9-13-18)24(30)26(21)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKeyQHEGLSBAXUWAHE-UHFFFAOYSA-N
XLogP3.08
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 3076489) is ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is QHEGLSBAXUWAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-3-31-23(29)19-14-16(2)25-21-20(19)22(28)27(18-12-8-5-9-13-18)24(30)26(21)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3.
What are the key properties of ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 3076489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).