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

C16H22N6O3 — CID 91950824

IUPAC3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NC3CCN(C)CC3)c2=O)n1
InChIInChI=1S/C16H22N6O3/c1-11-18-15(25-20-11)13-9-17-10-22(16(13)24)8-5-14(23)19-12-3-6-21(2)7-4-12/h9-10,12H,3-8H2,1-2H3,(H,19,23)
InChIKeyBBOLUESBPKVPEO-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.20
Rot. Bonds5

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

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 91950824) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID91950824
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NC3CCN(C)CC3)c2=O)n1
InChIInChI=1S/C16H22N6O3/c1-11-18-15(25-20-11)13-9-17-10-22(16(13)24)8-5-14(23)19-12-3-6-21(2)7-4-12/h9-10,12H,3-8H2,1-2H3,(H,19,23)
InChIKeyBBOLUESBPKVPEO-UHFFFAOYSA-N
XLogP0.20
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
5-({4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}carbonyl)-2-methylpyrimidin-4-ol
CID 72868566
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-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 91950827
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide
CID 91950845
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 91950858
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-morpholin-4-ylethyl)propanamide
CID 91950876

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-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 91950824) is 3-[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-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is Cc1noc(-c2cncn(CCC(=O)NC3CCN(C)CC3)c2=O)n1.
What is the InChIKey of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is BBOLUESBPKVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-18-15(25-20-11)13-9-17-10-22(16(13)24)8-5-14(23)19-12-3-6-21(2)7-4-12/h9-10,12H,3-8H2,1-2H3,(H,19,23).
What are the key properties of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 346.39 g/mol, XLogP of 0.20, 5 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-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91950824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).