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

C20H20F4N6O5 — CID 154642100

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

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 154642100) has the molecular formula C20H20F4N6O5 and a molecular weight of 500.41 g/mol. Its IUPAC name is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 154642100
• Molecular Formula: C20H20F4N6O5
• Molecular Weight: 500.41 g/mol
• Exact Mass: 500.14
• IUPAC Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3cc(C)cnc3OC)cc2F)c1=O
• InChI: InChI=1S/C20H20F4N6O5/c1-4-29-14(8-31)28-30(19(29)33)15-12(21)6-11(17(27-15)35-9-20(22,23)24)16(32)26-13-5-10(2)7-25-18(13)34-3/h5-7,31H,4,8-9H2,1-3H3,(H,26,32)
• InChIKey: WGQHDWUIUFVZFQ-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 133.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.41
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 154642100) is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3cc(C)cnc3OC)cc2F)c1=O.

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

The InChIKey is WGQHDWUIUFVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6O5/c1-4-29-14(8-31)28-30(19(29)33)15-12(21)6-11(17(27-15)35-9-20(22,23)24)16(32)26-13-5-10(2)7-25-18(13)34-3/h5-7,31H,4,8-9H2,1-3H3,(H,26,32).

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

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 500.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 154642100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).