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

C19H26N6O3 — CID 91950931

IUPAC3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CCn2c(C)ncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C19H26N6O3/c1-4-8-24-9-5-15(6-10-24)22-17(26)7-11-25-14(3)20-12-16(19(25)27)18-21-13(2)23-28-18/h4,12,15H,1,5-11H2,2-3H3,(H,22,26)
InChIKeyNXNRBXATTQGPTD-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.07
Rot. Bonds7

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

3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide (PubChem CID 91950931) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide
PubChem CID91950931
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CCn2c(C)ncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C19H26N6O3/c1-4-8-24-9-5-15(6-10-24)22-17(26)7-11-25-14(3)20-12-16(19(25)27)18-21-13(2)23-28-18/h4,12,15H,1,5-11H2,2-3H3,(H,22,26)
InChIKeyNXNRBXATTQGPTD-UHFFFAOYSA-N
XLogP1.07
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-prop-2-enylpiperidin-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-prop-2-enylpiperidin-4-yl)propanamide (CID 91950931) is 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-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-prop-2-enylpiperidin-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-prop-2-enylpiperidin-4-yl)propanamide is C=CCN1CCC(NC(=O)CCn2c(C)ncc(-c3nc(C)no3)c2=O)CC1.
What is the InChIKey of 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The InChIKey is NXNRBXATTQGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-4-8-24-9-5-15(6-10-24)22-17(26)7-11-25-14(3)20-12-16(19(25)27)18-21-13(2)23-28-18/h4,12,15H,1,5-11H2,2-3H3,(H,22,26).
What are the key properties of 3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
3-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide has a molecular weight of 386.46 g/mol, XLogP of 1.07, 7 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-prop-2-enylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91950931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).