N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

C30H33N5O4 — CID 86291054

About N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (PubChem CID 86291054) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
• PubChem CID: 86291054
• Molecular Formula: C30H33N5O4
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.25
• IUPAC Name: N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
• SMILES: C=C1CN(C(=O)COc2ccccc2CNC(=O)Cn2c(C)cnc(NCCc3ccccc3)c2=O)CC1=C
• InChI: InChI=1S/C30H33N5O4/c1-21-17-34(18-22(21)2)28(37)20-39-26-12-8-7-11-25(26)16-32-27(36)19-35-23(3)15-33-29(30(35)38)31-14-13-24-9-5-4-6-10-24/h4-12,15H,1-2,13-14,16-20H2,3H3,(H,31,33)(H,32,36)
• InChIKey: HFSZFKPJRZQPOV-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?

The IUPAC name of N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (CID 86291054) is N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.

What is the SMILES notation for N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?

The canonical SMILES for N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is C=C1CN(C(=O)COc2ccccc2CNC(=O)Cn2c(C)cnc(NCCc3ccccc3)c2=O)CC1=C.

What is the InChIKey of N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?

The InChIKey is HFSZFKPJRZQPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-21-17-34(18-22(21)2)28(37)20-39-26-12-8-7-11-25(26)16-32-27(36)19-35-23(3)15-33-29(30(35)38)31-14-13-24-9-5-4-6-10-24/h4-12,15H,1-2,13-14,16-20H2,3H3,(H,31,33)(H,32,36).

What are the key properties of N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?

N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 527.63 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 86291054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).