N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

C19H19F4N3O3 — CID 161085351

About N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 161085351) has the molecular formula C19H19F4N3O3 and a molecular weight of 413.37 g/mol. Its IUPAC name is N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
• PubChem CID: 161085351
• Molecular Formula: C19H19F4N3O3
• Molecular Weight: 413.37 g/mol
• Exact Mass: 413.14
• IUPAC Name: N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
• SMILES: CC(=O)Cc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(F)c2)cc(C)n1
• InChI: InChI=1S/C19H19F4N3O3/c1-10-4-13(6-15(25-10)5-11(2)27)17(28)26-12(3)14-7-16(20)18(24-8-14)29-9-19(21,22)23/h4,6-8,12H,5,9H2,1-3H3,(H,26,28)
• InChIKey: UGKWXOSQANJXMB-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.37
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?

The IUPAC name of N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (CID 161085351) is N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?

The canonical SMILES for N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is CC(=O)Cc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(F)c2)cc(C)n1.

What is the InChIKey of N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?

The InChIKey is UGKWXOSQANJXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O3/c1-10-4-13(6-15(25-10)5-11(2)27)17(28)26-12(3)14-7-16(20)18(24-8-14)29-9-19(21,22)23/h4,6-8,12H,5,9H2,1-3H3,(H,26,28).

What are the key properties of N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?

N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 413.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 161085351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).