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

C24H21FN4O3 — CID 17250436

IUPAC2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H21FN4O3/c1-14-9-10-17(12-19(14)25)27-20(30)13-28-23(31)21-15(2)11-16(3)26-22(21)29(24(28)32)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,27,30)
InChIKeyFIXZFRVNEDAZDA-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.25
Rot. Bonds4

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

2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 17250436) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID17250436
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H21FN4O3/c1-14-9-10-17(12-19(14)25)27-20(30)13-28-23(31)21-15(2)11-16(3)26-22(21)29(24(28)32)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,27,30)
InChIKeyFIXZFRVNEDAZDA-UHFFFAOYSA-N
XLogP3.25
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.25
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-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 17250436) is 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(C)c(F)c3)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-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is FIXZFRVNEDAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14-9-10-17(12-19(14)25)27-20(30)13-28-23(31)21-15(2)11-16(3)26-22(21)29(24(28)32)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(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-(3-fluoro-4-methylphenyl)acetamide?
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 432.46 g/mol, XLogP of 3.25, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 17250436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).