2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C21H28N4O — CID 97255752

About 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 97255752) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• PubChem CID: 97255752
• Molecular Formula: C21H28N4O
• Molecular Weight: 352.48 g/mol
• Exact Mass: 352.23
• IUPAC Name: 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• SMILES: C[C@@H](NC(=O)CN(C)CCc1cnccn1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C21H28N4O/c1-16(18-8-7-17-5-3-4-6-19(17)13-18)24-21(26)15-25(2)12-9-20-14-22-10-11-23-20/h7-8,10-11,13-14,16H,3-6,9,12,15H2,1-2H3,(H,24,26)/t16-/m1/s1
• InChIKey: QXFPQVQYWKJTDX-MRXNPFEDSA-N
• XLogP: 2.71
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The IUPAC name of 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 97255752) is 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C[C@@H](NC(=O)CN(C)CCc1cnccn1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The InChIKey is QXFPQVQYWKJTDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(18-8-7-17-5-3-4-6-19(17)13-18)24-21(26)15-25(2)12-9-20-14-22-10-11-23-20/h7-8,10-11,13-14,16H,3-6,9,12,15H2,1-2H3,(H,24,26)/t16-/m1/s1.

What are the key properties of 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 97255752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).