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

C18H24N6O3 — CID 91950858

IUPAC3-[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)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C18H24N6O3/c1-3-7-23-8-4-14(5-9-23)21-16(25)6-10-24-12-19-11-15(18(24)26)17-20-13(2)22-27-17/h3,11-12,14H,1,4-10H2,2H3,(H,21,25)
InChIKeyNXKDFKOLBQGQKL-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.76
Rot. Bonds7

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

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide (PubChem CID 91950858) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[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-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide
PubChem CID91950858
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name3-[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)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C18H24N6O3/c1-3-7-23-8-4-14(5-9-23)21-16(25)6-10-24-12-19-11-15(18(24)26)17-20-13(2)22-27-17/h3,11-12,14H,1,4-10H2,2H3,(H,21,25)
InChIKeyNXKDFKOLBQGQKL-UHFFFAOYSA-N
XLogP0.76
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea
CID 56781517
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]propanamide
CID 91950819
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 91950824
N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 91950869
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91950870
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 91950871
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950873
3-[3-(3,5-Dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950875
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
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950882
3-[3-(4-Ethylpiperazin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950883
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950893

Frequently Asked Questions

What is the IUPAC name of 3-[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-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide (CID 91950858) is 3-[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-[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-[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)CCn2cncc(-c3nc(C)no3)c2=O)CC1.
What is the InChIKey of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The InChIKey is NXKDFKOLBQGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-3-7-23-8-4-14(5-9-23)21-16(25)6-10-24-12-19-11-15(18(24)26)17-20-13(2)22-27-17/h3,11-12,14H,1,4-10H2,2H3,(H,21,25).
What are the key properties of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
3-[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 372.43 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 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-(1-prop-2-enylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91950858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).