2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

C24H21FN4O3 — CID 20879838

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2cccnc21)NCCc1ccccc1
InChIInChI=1S/C24H21FN4O3/c25-19-10-8-18(9-11-19)15-29-23(31)20-7-4-13-27-22(20)28(24(29)32)16-21(30)26-14-12-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2,(H,26,30)
InChIKeyRMWLZWYXNMJMRT-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.10
Rot. Bonds7

About 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 20879838) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID20879838
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2cccnc21)NCCc1ccccc1
InChIInChI=1S/C24H21FN4O3/c25-19-10-8-18(9-11-19)15-29-23(31)20-7-4-13-27-22(20)28(24(29)32)16-21(30)26-14-12-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2,(H,26,30)
InChIKeyRMWLZWYXNMJMRT-UHFFFAOYSA-N
XLogP2.10
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18569546
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetonitrile
CID 126457146
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 53001131
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 16801733
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680
2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 16952038
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999968
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide (CID 20879838) is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2cccnc21)NCCc1ccccc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is RMWLZWYXNMJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-19-10-8-18(9-11-19)15-29-23(31)20-7-4-13-27-22(20)28(24(29)32)16-21(30)26-14-12-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2,(H,26,30).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 432.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 20879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).