2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide

C15H9Cl3N4O2 — CID 18165522

IUPAC2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(Cn1cnc2ncccc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O2/c16-8-4-10(17)13(11(18)5-8)21-12(23)6-22-7-20-14-9(15(22)24)2-1-3-19-14/h1-5,7H,6H2,(H,21,23)
InChIKeyFFAZMYLWLGSMBB-UHFFFAOYSA-N
MW383.62 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 18165522) has the molecular formula C15H9Cl3N4O2 and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID18165522
Molecular FormulaC15H9Cl3N4O2
Molecular Weight383.62 g/mol
Exact Mass381.98
IUPAC Name2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(Cn1cnc2ncccc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O2/c16-8-4-10(17)13(11(18)5-8)21-12(23)6-22-7-20-14-9(15(22)24)2-1-3-19-14/h1-5,7H,6H2,(H,21,23)
InChIKeyFFAZMYLWLGSMBB-UHFFFAOYSA-N
XLogP3.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 18165536
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165506
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792839
N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165544
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18147630
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 22108544
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 18165522) is 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide is O=C(Cn1cnc2ncccc2c1=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is FFAZMYLWLGSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4O2/c16-8-4-10(17)13(11(18)5-8)21-12(23)6-22-7-20-14-9(15(22)24)2-1-3-19-14/h1-5,7H,6H2,(H,21,23).
What are the key properties of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 383.62 g/mol, XLogP of 3.39, 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-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 18165522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).