2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

C15H9F3N4O2 — CID 18165536

IUPAC2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1cnc2ncccc2c1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N4O2/c16-9-3-4-10(13(18)12(9)17)21-11(23)6-22-7-20-14-8(15(22)24)2-1-5-19-14/h1-5,7H,6H2,(H,21,23)
InChIKeyYXJHHKQSUZJIQG-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 18165536) has the molecular formula C15H9F3N4O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID18165536
Molecular FormulaC15H9F3N4O2
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC Name2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1cnc2ncccc2c1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F3N4O2/c16-9-3-4-10(13(18)12(9)17)21-11(23)6-22-7-20-14-8(15(22)24)2-1-5-19-14/h1-5,7H,6H2,(H,21,23)
InChIKeyYXJHHKQSUZJIQG-UHFFFAOYSA-N
XLogP1.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165544
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18165522
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165506
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660548
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18147630
2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)-N-(2-fluorophenyl)acetamide
CID 50765432
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 18165536) is 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1cnc2ncccc2c1=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is YXJHHKQSUZJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2/c16-9-3-4-10(13(18)12(9)17)21-11(23)6-22-7-20-14-8(15(22)24)2-1-5-19-14/h1-5,7H,6H2,(H,21,23).
What are the key properties of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 334.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 18165536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).