N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C20H24N6O3 — CID 91950711

About N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 91950711) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 91950711
• Molecular Formula: C20H24N6O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.19
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: Cc1noc(-c2cnc(C)nc2N2CCCC(C(=O)NCCc3ccco3)C2)n1
• InChI: InChI=1S/C20H24N6O3/c1-13-22-11-17(20-24-14(2)25-29-20)18(23-13)26-9-3-5-15(12-26)19(27)21-8-7-16-6-4-10-28-16/h4,6,10-11,15H,3,5,7-9,12H2,1-2H3,(H,21,27)
• InChIKey: AXSZXLOEMHZWJD-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 110.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 91950711) is N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide is Cc1noc(-c2cnc(C)nc2N2CCCC(C(=O)NCCc3ccco3)C2)n1.

What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is AXSZXLOEMHZWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-22-11-17(20-24-14(2)25-29-20)18(23-13)26-9-3-5-15(12-26)19(27)21-8-7-16-6-4-10-28-16/h4,6,10-11,15H,3,5,7-9,12H2,1-2H3,(H,21,27).

What are the key properties of N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 91950711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).