2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide

C21H24F3N3O3 — CID 67508998

About 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide

2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 67508998) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 67508998
• Molecular Formula: C21H24F3N3O3
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)cc(NC(=O)C(C)C)n1
• InChI: InChI=1S/C21H24F3N3O3/c1-12(2)19(28)27-18-10-16(8-13(3)25-18)20(29)26-14(4)15-6-5-7-17(9-15)30-11-21(22,23)24/h5-10,12,14H,11H2,1-4H3,(H,26,29)(H,25,27,28)
• InChIKey: AUDGYJFJULKMMW-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?

The IUPAC name of 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide (CID 67508998) is 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)cc(NC(=O)C(C)C)n1.

What is the InChIKey of 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?

The InChIKey is AUDGYJFJULKMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-12(2)19(28)27-18-10-16(8-13(3)25-18)20(29)26-14(4)15-6-5-7-17(9-15)30-11-21(22,23)24/h5-10,12,14H,11H2,1-4H3,(H,26,29)(H,25,27,28).

What are the key properties of 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?

2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 67508998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).