3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide

C25H27N5O2 — CID 141281204

About 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide

3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide (PubChem CID 141281204) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide
• PubChem CID: 141281204
• Molecular Formula: C25H27N5O2
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.22
• IUPAC Name: 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide
• SMILES: CCC1CNC(=O)C1c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cn2)c1
• InChI: InChI=1S/C25H27N5O2/c1-4-17-13-29-25(32)23(17)19-9-18(21-6-5-15(2)12-28-21)10-20(11-19)24(31)30-16(3)22-14-26-7-8-27-22/h5-12,14,16-17,23H,4,13H2,1-3H3,(H,29,32)(H,30,31)
• InChIKey: CLFZVRSDWGNNSE-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide?

The IUPAC name of 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide (CID 141281204) is 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide.

What is the SMILES notation for 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide?

The canonical SMILES for 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide is CCC1CNC(=O)C1c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cn2)c1.

What is the InChIKey of 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide?

The InChIKey is CLFZVRSDWGNNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-4-17-13-29-25(32)23(17)19-9-18(21-6-5-15(2)12-28-21)10-20(11-19)24(31)30-16(3)22-14-26-7-8-27-22/h5-12,14,16-17,23H,4,13H2,1-3H3,(H,29,32)(H,30,31).

What are the key properties of 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide?

3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide is sourced from PubChem (CID 141281204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).