N-(5-chloro-2-methoxy-3-methyl-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

C20H19ClF4N6O5 — CID 154642137

About N-(5-chloro-2-methoxy-3-methyl-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-(5-chloro-2-methoxy-3-methyl-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 154642137) has the molecular formula C20H19ClF4N6O5 and a molecular weight of 534.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-3-methyl-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-(5-chloro-2-methoxy-3-methyl-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: 154642137
• Molecular Formula: C20H19ClF4N6O5
• Molecular Weight: 534.85 g/mol
• Exact Mass: 534.10
• IUPAC Name: N-(5-chloro-2-methoxy-3-methyl-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: CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)cnc(OC)c3C)cc2F)c1=O
• InChI: InChI=1S/C20H19ClF4N6O5/c1-4-30-13(7-32)29-31(19(30)34)15-12(22)5-10(18(28-15)36-8-20(23,24)25)16(33)27-14-9(2)17(35-3)26-6-11(14)21/h5-6,32H,4,7-8H2,1-3H3,(H,26,27,33)
• InChIKey: WUSAASAWSPEOHO-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 133.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.85
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-3-methyl-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-(5-chloro-2-methoxy-3-methyl-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 154642137) is N-(5-chloro-2-methoxy-3-methyl-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-(5-chloro-2-methoxy-3-methyl-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-(5-chloro-2-methoxy-3-methyl-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 CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)cnc(OC)c3C)cc2F)c1=O.

What is the InChIKey of N-(5-chloro-2-methoxy-3-methyl-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 WUSAASAWSPEOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N6O5/c1-4-30-13(7-32)29-31(19(30)34)15-12(22)5-10(18(28-15)36-8-20(23,24)25)16(33)27-14-9(2)17(35-3)26-6-11(14)21/h5-6,32H,4,7-8H2,1-3H3,(H,26,27,33).

What are the key properties of N-(5-chloro-2-methoxy-3-methyl-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-(5-chloro-2-methoxy-3-methyl-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 534.85 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxy-3-methyl-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 154642137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).