2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide

C25H24N4O3 — CID 17251369

IUPAC2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(C)c3C)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H24N4O3/c1-15-9-8-12-20(18(15)4)27-21(30)14-28-24(31)22-16(2)13-17(3)26-23(22)29(25(28)32)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,27,30)
InChIKeyKPMBLCAOGIMXRR-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.42
Rot. Bonds4

About 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide

2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 17251369) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID17251369
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(C)c3C)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H24N4O3/c1-15-9-8-12-20(18(15)4)27-21(30)14-28-24(31)22-16(2)13-17(3)26-23(22)29(25(28)32)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,27,30)
InChIKeyKPMBLCAOGIMXRR-UHFFFAOYSA-N
XLogP3.42
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide (CID 17251369) is 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(C)c3C)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is KPMBLCAOGIMXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-9-8-12-20(18(15)4)27-21(30)14-28-24(31)22-16(2)13-17(3)26-23(22)29(25(28)32)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,27,30).
What are the key properties of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 17251369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).