2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide

C23H20N4O3 — CID 25238617

IUPAC2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C23H20N4O3/c1-2-16-8-6-9-17(14-16)25-20(28)15-26-22(29)19-12-7-13-24-21(19)27(23(26)30)18-10-4-3-5-11-18/h3-14H,2,15H2,1H3,(H,25,28)
InChIKeyCCXVVYASQBDYON-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.75
Rot. Bonds5

About 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide

2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide (PubChem CID 25238617) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
PubChem CID25238617
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C23H20N4O3/c1-2-16-8-6-9-17(14-16)25-20(28)15-26-22(29)19-12-7-13-24-21(19)27(23(26)30)18-10-4-3-5-11-18/h3-14H,2,15H2,1H3,(H,25,28)
InChIKeyCCXVVYASQBDYON-UHFFFAOYSA-N
XLogP2.75
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide (CID 25238617) is 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide?
The InChIKey is CCXVVYASQBDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-2-16-8-6-9-17(14-16)25-20(28)15-26-22(29)19-12-7-13-24-21(19)27(23(26)30)18-10-4-3-5-11-18/h3-14H,2,15H2,1H3,(H,25,28).
What are the key properties of 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide?
2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 25238617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).