1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide

C19H26N6O4 — CID 91950871

IUPAC1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1noc(-c2cncn(CCC(=O)N3CCC(C(=O)NC(C)C)CC3)c2=O)n1
InChIInChI=1S/C19H26N6O4/c1-12(2)21-17(27)14-4-7-24(8-5-14)16(26)6-9-25-11-20-10-15(19(25)28)18-22-13(3)23-29-18/h10-12,14H,4-9H2,1-3H3,(H,21,27)
InChIKeyYMKBAXHLQGOVQE-UHFFFAOYSA-N
MW402.46 g/mol
LogP0.76
Rot. Bonds6

About 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91950871) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID91950871
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1noc(-c2cncn(CCC(=O)N3CCC(C(=O)NC(C)C)CC3)c2=O)n1
InChIInChI=1S/C19H26N6O4/c1-12(2)21-17(27)14-4-7-24(8-5-14)16(26)6-9-25-11-20-10-15(19(25)28)18-22-13(3)23-29-18/h10-12,14H,4-9H2,1-3H3,(H,21,27)
InChIKeyYMKBAXHLQGOVQE-UHFFFAOYSA-N
XLogP0.76
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(1-methylpiperidin-4-yl)propanamide
CID 91950824
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
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-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950893
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950894
Ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
CID 91950896

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 91950871) is 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1noc(-c2cncn(CCC(=O)N3CCC(C(=O)NC(C)C)CC3)c2=O)n1.
What is the InChIKey of 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is YMKBAXHLQGOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-12(2)21-17(27)14-4-7-24(8-5-14)16(26)6-9-25-11-20-10-15(19(25)28)18-22-13(3)23-29-18/h10-12,14H,4-9H2,1-3H3,(H,21,27).
What are the key properties of 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91950871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).