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

C24H27N7O2 — CID 91950706

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

N-[2-(1H-indol-3-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 91950706) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-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-(1H-indol-3-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 91950706
• Molecular Formula: C24H27N7O2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.22
• IUPAC Name: N-[2-(1H-indol-3-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)NCCc3c[nH]c4ccccc34)C2)n1
• InChI: InChI=1S/C24H27N7O2/c1-15-26-13-20(24-29-16(2)30-33-24)22(28-15)31-11-5-6-18(14-31)23(32)25-10-9-17-12-27-21-8-4-3-7-19(17)21/h3-4,7-8,12-13,18,27H,5-6,9-11,14H2,1-2H3,(H,25,32)
• InChIKey: YWBYJPUVWXHUNH-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 112.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-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-(1H-indol-3-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 91950706) is N-[2-(1H-indol-3-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-(1H-indol-3-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-(1H-indol-3-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)NCCc3c[nH]c4ccccc34)C2)n1.

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

The InChIKey is YWBYJPUVWXHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-26-13-20(24-29-16(2)30-33-24)22(28-15)31-11-5-6-18(14-31)23(32)25-10-9-17-12-27-21-8-4-3-7-19(17)21/h3-4,7-8,12-13,18,27H,5-6,9-11,14H2,1-2H3,(H,25,32).

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

N-[2-(1H-indol-3-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 445.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-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 91950706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).