3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C19H28N6O3 — CID 91950878

IUPAC3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2=O)n1
InChIInChI=1S/C19H28N6O3/c1-12-21-16(28-23-12)14-10-20-11-25(17(14)27)7-6-15(26)22-13-8-18(2,3)24-19(4,5)9-13/h10-11,13,24H,6-9H2,1-5H3,(H,22,26)
InChIKeyDGLBFHQNMSQEDG-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.42
Rot. Bonds5

About 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 91950878) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID91950878
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2=O)n1
InChIInChI=1S/C19H28N6O3/c1-12-21-16(28-23-12)14-10-20-11-25(17(14)27)7-6-15(26)22-13-8-18(2,3)24-19(4,5)9-13/h10-11,13,24H,6-9H2,1-5H3,(H,22,26)
InChIKeyDGLBFHQNMSQEDG-UHFFFAOYSA-N
XLogP1.42
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 91950878) is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is Cc1noc(-c2cncn(CCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2=O)n1.
What is the InChIKey of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is DGLBFHQNMSQEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-12-21-16(28-23-12)14-10-20-11-25(17(14)27)7-6-15(26)22-13-8-18(2,3)24-19(4,5)9-13/h10-11,13,24H,6-9H2,1-5H3,(H,22,26).
What are the key properties of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91950878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).