N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide

C25H32N4O2 — CID 4641976

About N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide

N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide (PubChem CID 4641976) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide
• PubChem CID: 4641976
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide
• SMILES: CC1(C)CC2CC(C)(CN2C(=O)CCN(Cc2ccccc2)C(=O)c2cnccn2)C1
• InChI: InChI=1S/C25H32N4O2/c1-24(2)13-20-14-25(3,17-24)18-29(20)22(30)9-12-28(16-19-7-5-4-6-8-19)23(31)21-15-26-10-11-27-21/h4-8,10-11,15,20H,9,12-14,16-18H2,1-3H3
• InChIKey: USGLHRSXMNOTJU-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide?

The IUPAC name of N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide (CID 4641976) is N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide?

The canonical SMILES for N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)CCN(Cc2ccccc2)C(=O)c2cnccn2)C1.

What is the InChIKey of N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide?

The InChIKey is USGLHRSXMNOTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-24(2)13-20-14-25(3,17-24)18-29(20)22(30)9-12-28(16-19-7-5-4-6-8-19)23(31)21-15-26-10-11-27-21/h4-8,10-11,15,20H,9,12-14,16-18H2,1-3H3.

What are the key properties of N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide?

N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4641976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).