3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine

C20H26F3N5O4 — CID 153389228

About 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine (PubChem CID 153389228) has the molecular formula C20H26F3N5O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine.

Molecular Properties

• Compound Name: 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine
• PubChem CID: 153389228
• Molecular Formula: C20H26F3N5O4
• Molecular Weight: 457.45 g/mol
• Exact Mass: 457.19
• IUPAC Name: 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine
• SMILES: CN.Cc1ccc(C(O)(C=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)(C)CO)n1
• InChI: InChI=1S/C19H21F3N4O4.CH5N/c1-10-4-5-11(18(30,9-28)19(20,21)22)6-12(10)13-7-24-15(23)14(25-13)16(29)26-17(2,3)8-27;1-2/h4-7,9,27,30H,8H2,1-3H3,(H2,23,24)(H,26,29);2H2,1H3
• InChIKey: GBROSBCQLVCDSJ-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 164.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.45
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine?

The IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine (CID 153389228) is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine.

What is the SMILES notation for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine?

The canonical SMILES for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine is CN.Cc1ccc(C(O)(C=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)(C)CO)n1.

What is the InChIKey of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine?

The InChIKey is GBROSBCQLVCDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4.CH5N/c1-10-4-5-11(18(30,9-28)19(20,21)22)6-12(10)13-7-24-15(23)14(25-13)16(29)26-17(2,3)8-27;1-2/h4-7,9,27,30H,8H2,1-3H3,(H2,23,24)(H,26,29);2H2,1H3.

What are the key properties of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine?

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine has a molecular weight of 457.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine is sourced from PubChem (CID 153389228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).