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

C23H18F2N4O3 — CID 17251341

IUPACN-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3F)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H18F2N4O3/c1-13-10-14(2)26-21-20(13)22(31)28(23(32)29(21)16-6-4-3-5-7-16)12-19(30)27-18-9-8-15(24)11-17(18)25/h3-11H,12H2,1-2H3,(H,27,30)
InChIKeyJAQCZMYHLFHXFI-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.08
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 17251341) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID17251341
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC NameN-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3F)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H18F2N4O3/c1-13-10-14(2)26-21-20(13)22(31)28(23(32)29(21)16-6-4-3-5-7-16)12-19(30)27-18-9-8-15(24)11-17(18)25/h3-11H,12H2,1-2H3,(H,27,30)
InChIKeyJAQCZMYHLFHXFI-UHFFFAOYSA-N
XLogP3.08
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 17251341) is N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3F)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is JAQCZMYHLFHXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-13-10-14(2)26-21-20(13)22(31)28(23(32)29(21)16-6-4-3-5-7-16)12-19(30)27-18-9-8-15(24)11-17(18)25/h3-11H,12H2,1-2H3,(H,27,30).
What are the key properties of N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 436.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 17251341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).