3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide

C23H25F3N8O2 — CID 118873196

About 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873196) has the molecular formula C23H25F3N8O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
• PubChem CID: 118873196
• Molecular Formula: C23H25F3N8O2
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.21
• IUPAC Name: 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
• SMILES: CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1
• InChI: InChI=1S/C23H25F3N8O2/c1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26/h3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
• InChIKey: TUJXMCOKEYNEHL-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 145.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873196) is 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.

What is the InChIKey of 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?

The InChIKey is TUJXMCOKEYNEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8O2/c1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26/h3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35).

What are the key properties of 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?

3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).