3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide

C16H19F3N6O2 — CID 121351137

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 121351137) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide
• PubChem CID: 121351137
• Molecular Formula: C16H19F3N6O2
• Molecular Weight: 384.36 g/mol
• Exact Mass: 384.15
• IUPAC Name: 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)NC2CCCN(CC(F)(F)F)C2)c(N)nc1-c1ncco1
• InChI: InChI=1S/C16H19F3N6O2/c1-9-11(15-21-4-6-27-15)24-13(20)12(22-9)14(26)23-10-3-2-5-25(7-10)8-16(17,18)19/h4,6,10H,2-3,5,7-8H2,1H3,(H2,20,24)(H,23,26)
• InChIKey: HXPXAMHSPQGGPP-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 110.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.36
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide (CID 121351137) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide is Cc1nc(C(=O)NC2CCCN(CC(F)(F)F)C2)c(N)nc1-c1ncco1.

What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide?

The InChIKey is HXPXAMHSPQGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c1-9-11(15-21-4-6-27-15)24-13(20)12(22-9)14(26)23-10-3-2-5-25(7-10)8-16(17,18)19/h4,6,10H,2-3,5,7-8H2,1H3,(H2,20,24)(H,23,26).

What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide?

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 121351137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).