N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C12H11BrN4O3 — CID 24745326

IUPACN-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)Nc2ccc(Br)cn2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11BrN4O3/c1-7-5-17(12(20)16-11(7)19)6-10(18)15-9-3-2-8(13)4-14-9/h2-5H,6H2,1H3,(H,14,15,18)(H,16,19,20)
InChIKeyROGQUTAGACJJBJ-UHFFFAOYSA-N
MW339.15 g/mol
LogP0.64
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 24745326) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID24745326
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)Nc2ccc(Br)cn2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11BrN4O3/c1-7-5-17(12(20)16-11(7)19)6-10(18)15-9-3-2-8(13)4-14-9/h2-5H,6H2,1H3,(H,14,15,18)(H,16,19,20)
InChIKeyROGQUTAGACJJBJ-UHFFFAOYSA-N
XLogP0.64
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 24745326) is N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)Nc2ccc(Br)cn2)c(=O)[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is ROGQUTAGACJJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-7-5-17(12(20)16-11(7)19)6-10(18)15-9-3-2-8(13)4-14-9/h2-5H,6H2,1H3,(H,14,15,18)(H,16,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 339.15 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 24745326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).