N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C20H19F5N6O4 — CID 154642092

About N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 154642092) has the molecular formula C20H19F5N6O4 and a molecular weight of 502.40 g/mol. Its IUPAC name is N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 154642092
• Molecular Formula: C20H19F5N6O4
• Molecular Weight: 502.40 g/mol
• Exact Mass: 502.14
• IUPAC Name: N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CCc1cncc(F)c1NC(=O)c1cc(F)c(-n2nc(CO)n(CC)c2=O)nc1OCC(F)(F)F
• InChI: InChI=1S/C20H19F5N6O4/c1-3-10-6-26-7-13(22)15(10)27-17(33)11-5-12(21)16(28-18(11)35-9-20(23,24)25)31-19(34)30(4-2)14(8-32)29-31/h5-7,32H,3-4,8-9H2,1-2H3,(H,26,27,33)
• InChIKey: RZYSEDSLNKJKRP-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 124.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.40
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 154642092) is N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

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

The canonical SMILES for N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCc1cncc(F)c1NC(=O)c1cc(F)c(-n2nc(CO)n(CC)c2=O)nc1OCC(F)(F)F.

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

The InChIKey is RZYSEDSLNKJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O4/c1-3-10-6-26-7-13(22)15(10)27-17(33)11-5-12(21)16(28-18(11)35-9-20(23,24)25)31-19(34)30(4-2)14(8-32)29-31/h5-7,32H,3-4,8-9H2,1-2H3,(H,26,27,33).

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

N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 502.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-5-fluoro-4-pyridinyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 154642092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).