3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide

C8H8N4O3 — CID 79874209

IUPAC3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
SMILESN#Cc1cn(CCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H8N4O3/c9-3-5-4-12(2-1-6(10)13)8(15)11-7(5)14/h4H,1-2H2,(H2,10,13)(H,11,14,15)
InChIKeyFYLXFWHWMYUIPD-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.72
Rot. Bonds3

About 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide

3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 79874209) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID79874209
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
SMILESN#Cc1cn(CCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H8N4O3/c9-3-5-4-12(2-1-6(10)13)8(15)11-7(5)14/h4H,1-2H2,(H2,10,13)(H,11,14,15)
InChIKeyFYLXFWHWMYUIPD-UHFFFAOYSA-N
XLogP-1.72
TPSA121.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)butanoate
CID 113225179
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
1-(3-chloropropyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 121209798
1-[2-(3,5-difluorophenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79875575
1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79874869
1-(3-hydroxy-4-methoxybutyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 106248127
1-[2-(cyclopenten-1-yl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 106172155
N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
CID 176780636
1-[3-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 166249994
1-(3-ethyl-2-hydroxypentyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 114168934
1-(2-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 102701728
1-[(4-cyanophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 112731665

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide (CID 79874209) is 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide is N#Cc1cn(CCC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is FYLXFWHWMYUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c9-3-5-4-12(2-1-6(10)13)8(15)11-7(5)14/h4H,1-2H2,(H2,10,13)(H,11,14,15).
What are the key properties of 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 208.18 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 79874209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).