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

C17H24N6O3 — CID 91950921

IUPAC3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1noc(-c2cnc(C)n(CCC(=O)NC3CCN(C)CC3)c2=O)n1
InChIInChI=1S/C17H24N6O3/c1-11-19-16(26-21-11)14-10-18-12(2)23(17(14)25)9-6-15(24)20-13-4-7-22(3)8-5-13/h10,13H,4-9H2,1-3H3,(H,20,24)
InChIKeyKWIULFTWCWJYPY-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.51
Rot. Bonds5

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

3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 91950921) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID91950921
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1noc(-c2cnc(C)n(CCC(=O)NC3CCN(C)CC3)c2=O)n1
InChIInChI=1S/C17H24N6O3/c1-11-19-16(26-21-11)14-10-18-12(2)23(17(14)25)9-6-15(24)20-13-4-7-22(3)8-5-13/h10,13H,4-9H2,1-3H3,(H,20,24)
InChIKeyKWIULFTWCWJYPY-UHFFFAOYSA-N
XLogP0.51
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 91950921) is 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is Cc1noc(-c2cnc(C)n(CCC(=O)NC3CCN(C)CC3)c2=O)n1.
What is the InChIKey of 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is KWIULFTWCWJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-19-16(26-21-11)14-10-18-12(2)23(17(14)25)9-6-15(24)20-13-4-7-22(3)8-5-13/h10,13H,4-9H2,1-3H3,(H,20,24).
What are the key properties of 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91950921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).