N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide

C17H18F3N3O4 — CID 46478211

About N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide

N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide (PubChem CID 46478211) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide
• PubChem CID: 46478211
• Molecular Formula: C17H18F3N3O4
• Molecular Weight: 385.34 g/mol
• Exact Mass: 385.12
• IUPAC Name: N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1ccco1)C(=O)Nc1ccc(OCC(F)(F)F)nc1
• InChI: InChI=1S/C17H18F3N3O4/c1-10(2)14(23-15(24)12-4-3-7-26-12)16(25)22-11-5-6-13(21-8-11)27-9-17(18,19)20/h3-8,10,14H,9H2,1-2H3,(H,22,25)(H,23,24)
• InChIKey: XXLBHLUILJPWIE-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.34
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide (CID 46478211) is N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)Nc1ccc(OCC(F)(F)F)nc1.

What is the InChIKey of N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide?

The InChIKey is XXLBHLUILJPWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-10(2)14(23-15(24)12-4-3-7-26-12)16(25)22-11-5-6-13(21-8-11)27-9-17(18,19)20/h3-8,10,14H,9H2,1-2H3,(H,22,25)(H,23,24).

What are the key properties of N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide?

N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46478211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).