5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide

C17H19F3N6O — CID 91631451

About 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide

5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 91631451) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
• PubChem CID: 91631451
• Molecular Formula: C17H19F3N6O
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.16
• IUPAC Name: 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cn1
• InChI: InChI=1S/C17H19F3N6O/c1-10-8-22-13(9-21-10)16(27)25-12-3-5-26(6-4-12)15-7-14(17(18,19)20)23-11(2)24-15/h7-9,12H,3-6H2,1-2H3,(H,25,27)
• InChIKey: ABYOCEFBMRHBDJ-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide (CID 91631451) is 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cn1.

What is the InChIKey of 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?

The InChIKey is ABYOCEFBMRHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-10-8-22-13(9-21-10)16(27)25-12-3-5-26(6-4-12)15-7-14(17(18,19)20)23-11(2)24-15/h7-9,12H,3-6H2,1-2H3,(H,25,27).

What are the key properties of 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide?

5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91631451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).