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

C14H16N4O3 — CID 45280797

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1cn(CC(=O)NCCc2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N4O3/c1-10-8-18(14(21)17-13(10)20)9-12(19)16-7-5-11-4-2-3-6-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,16,19)(H,17,20,21)
InChIKeyGHIINFHDXMZJDH-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.40
Rot. Bonds5

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

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 45280797) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID45280797
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1cn(CC(=O)NCCc2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N4O3/c1-10-8-18(14(21)17-13(10)20)9-12(19)16-7-5-11-4-2-3-6-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,16,19)(H,17,20,21)
InChIKeyGHIINFHDXMZJDH-UHFFFAOYSA-N
XLogP-0.40
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 112530298
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63801481
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (CID 45280797) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide is Cc1cn(CC(=O)NCCc2ccccn2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is GHIINFHDXMZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-8-18(14(21)17-13(10)20)9-12(19)16-7-5-11-4-2-3-6-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,16,19)(H,17,20,21).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of -0.40, 5 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-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 45280797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).