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

C19H17ClF4N6O5 — CID 154642112

About N-(5-chloro-2-methoxy-3-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-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 154642112) has the molecular formula C19H17ClF4N6O5 and a molecular weight of 520.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-3-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-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: 154642112
• Molecular Formula: C19H17ClF4N6O5
• Molecular Weight: 520.83 g/mol
• Exact Mass: 520.09
• IUPAC Name: N-(5-chloro-2-methoxy-3-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)Nc3cc(Cl)cnc3OC)cc2F)c1=O
• InChI: InChI=1S/C19H17ClF4N6O5/c1-3-29-13(7-31)28-30(18(29)33)14-11(21)5-10(16(27-14)35-8-19(22,23)24)15(32)26-12-4-9(20)6-25-17(12)34-2/h4-6,31H,3,7-8H2,1-2H3,(H,26,32)
• InChIKey: PCOQSYREUCWDBA-UHFFFAOYSA-N
• XLogP: 2.33
• 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	520.83
LogP ≤ 5	2.33
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-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-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 154642112) is N-(5-chloro-2-methoxy-3-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-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-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)Nc3cc(Cl)cnc3OC)cc2F)c1=O.

What is the InChIKey of N-(5-chloro-2-methoxy-3-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 PCOQSYREUCWDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N6O5/c1-3-29-13(7-31)28-30(18(29)33)14-11(21)5-10(16(27-14)35-8-19(22,23)24)15(32)26-12-4-9(20)6-25-17(12)34-2/h4-6,31H,3,7-8H2,1-2H3,(H,26,32).

What are the key properties of N-(5-chloro-2-methoxy-3-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-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 520.83 g/mol, XLogP of 2.33, 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-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 154642112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).