2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide

C11H10N4O3 — CID 39953760

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccncc1
InChIInChI=1S/C11H10N4O3/c16-9-3-6-15(11(18)14-9)7-10(17)13-8-1-4-12-5-2-8/h1-6H,7H2,(H,12,13,17)(H,14,16,18)
InChIKeyCMRJMMLASUMAMO-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.43
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide

2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide (PubChem CID 39953760) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
PubChem CID39953760
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccncc1
InChIInChI=1S/C11H10N4O3/c16-9-3-6-15(11(18)14-9)7-10(17)13-8-1-4-12-5-2-8/h1-6H,7H2,(H,12,13,17)(H,14,16,18)
InChIKeyCMRJMMLASUMAMO-UHFFFAOYSA-N
XLogP-0.43
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid
CID 63262327
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate
CID 24514614
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33117678
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60555643
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 60608009
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124104
6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642049

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide (CID 39953760) is 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccncc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide?
The InChIKey is CMRJMMLASUMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-9-3-6-15(11(18)14-9)7-10(17)13-8-1-4-12-5-2-8/h1-6H,7H2,(H,12,13,17)(H,14,16,18).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide has a molecular weight of 246.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 39953760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).