3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide

C17H19N7O4 — CID 71793319

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)CCn2ccc(=O)[nH]c2=O)c1=O
InChIInChI=1S/C17H19N7O4/c1-22-15(12-4-2-3-7-18-12)21-24(17(22)28)11-8-19-13(25)5-9-23-10-6-14(26)20-16(23)27/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,19,25)(H,20,26,27)
InChIKeyHDYOCPWSCDUYRM-UHFFFAOYSA-N
MW385.38 g/mol
LogP-1.30
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide (PubChem CID 71793319) has the molecular formula C17H19N7O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide
PubChem CID71793319
Molecular FormulaC17H19N7O4
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)CCn2ccc(=O)[nH]c2=O)c1=O
InChIInChI=1S/C17H19N7O4/c1-22-15(12-4-2-3-7-18-12)21-24(17(22)28)11-8-19-13(25)5-9-23-10-6-14(26)20-16(23)27/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,19,25)(H,20,26,27)
InChIKeyHDYOCPWSCDUYRM-UHFFFAOYSA-N
XLogP-1.30
TPSA136.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1,6-Dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 906542
1-ethyl-6-methyl-3-(1H-pyrrol-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 4673464
4-Methyl-2-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]-1,2,4-triazine-3,5-dione
CID 10736912
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-(pyridin-2-yl)ethyl)acetamide
CID 45280797
N-(4-oxo-2-pyridin-2-yl-1H-pyrimidin-6-yl)acetamide
CID 135419016
1-butyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
CID 135966001
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 45280789
N-(1-methyl-6-oxo-3-pyridinyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 75462306
1-Ethyl-6-methyl-3-pyridin-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 906699
US10118930, Example 361
CID 137529898
1-methyl-6-oxo-N-(6-piperidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide
CID 24612235
1-{2-[(dimethylsulfamoyl)amino]ethyl}-4-methyl-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 45546137

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide (CID 71793319) is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide is Cn1c(-c2ccccn2)nn(CCNC(=O)CCn2ccc(=O)[nH]c2=O)c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
The InChIKey is HDYOCPWSCDUYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O4/c1-22-15(12-4-2-3-7-18-12)21-24(17(22)28)11-8-19-13(25)5-9-23-10-6-14(26)20-16(23)27/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,19,25)(H,20,26,27).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide has a molecular weight of 385.38 g/mol, XLogP of -1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 71793319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).