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

C12H11BrN4O3 — CID 17406789

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)nc1
InChIInChI=1S/C12H11BrN4O3/c1-7-2-3-9(14-4-7)15-10(18)6-17-5-8(13)11(19)16-12(17)20/h2-5H,6H2,1H3,(H,14,15,18)(H,16,19,20)
InChIKeyNZBBDPWEVIZCCY-UHFFFAOYSA-N
MW339.15 g/mol
LogP0.64
Rot. Bonds3

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

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 17406789) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID17406789
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)nc1
InChIInChI=1S/C12H11BrN4O3/c1-7-2-3-9(14-4-7)15-10(18)6-17-5-8(13)11(19)16-12(17)20/h2-5H,6H2,1H3,(H,14,15,18)(H,16,19,20)
InChIKeyNZBBDPWEVIZCCY-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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Related Compounds

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 27449421
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
(2S)-2-[[2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 119943030
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-(1-amino-2-methylpropan-2-yl)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 119522456
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
CID 120830531
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41438789
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653959
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]acetamide
CID 99789325
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide (CID 17406789) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)nc1.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is NZBBDPWEVIZCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-7-2-3-9(14-4-7)15-10(18)6-17-5-8(13)11(19)16-12(17)20/h2-5H,6H2,1H3,(H,14,15,18)(H,16,19,20).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)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 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 17406789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).