3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide

C17H20N4O — CID 30013789

About 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide

3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 30013789) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide
• PubChem CID: 30013789
• Molecular Formula: C17H20N4O
• Molecular Weight: 296.37 g/mol
• Exact Mass: 296.16
• IUPAC Name: 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1nccnc1N)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C17H20N4O/c1-11(21-17(22)15-16(18)20-9-8-19-15)13-7-6-12-4-2-3-5-14(12)10-13/h6-11H,2-5H2,1H3,(H2,18,20)(H,21,22)/t11-/m1/s1
• InChIKey: CSWZSJAODKBTEB-LLVKDONJSA-N
• XLogP: 2.43
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.37
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide (CID 30013789) is 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide is C[C@@H](NC(=O)c1nccnc1N)c1ccc2c(c1)CCCC2.

What is the InChIKey of 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide?

The InChIKey is CSWZSJAODKBTEB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11(21-17(22)15-16(18)20-9-8-19-15)13-7-6-12-4-2-3-5-14(12)10-13/h6-11H,2-5H2,1H3,(H2,18,20)(H,21,22)/t11-/m1/s1.

What are the key properties of 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide?

3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 30013789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).