2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C13H14N4O3 — CID 45280789

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cn(CC(=O)NCc2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-9-7-17(13(20)16-12(9)19)8-11(18)15-6-10-4-2-3-5-14-10/h2-5,7H,6,8H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyRZIYWRORJIRJDM-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.44
Rot. Bonds4

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 45280789) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID45280789
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cn(CC(=O)NCc2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-9-7-17(13(20)16-12(9)19)8-11(18)15-6-10-4-2-3-5-14-10/h2-5,7H,6,8H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyRZIYWRORJIRJDM-UHFFFAOYSA-N
XLogP-0.44
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 45280789) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cn(CC(=O)NCc2ccccn2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RZIYWRORJIRJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-7-17(13(20)16-12(9)19)8-11(18)15-6-10-4-2-3-5-14-10/h2-5,7H,6,8H2,1H3,(H,15,18)(H,16,19,20).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 45280789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).