N-(3-chloro-1-methyl-6-oxo-2-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 154642150

About N-(3-chloro-1-methyl-6-oxo-2-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-chloro-1-methyl-6-oxo-2-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 154642150) has the molecular formula C19H17ClF4N6O5 and a molecular weight of 520.83 g/mol. Its IUPAC name is N-(3-chloro-1-methyl-6-oxo-2-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-chloro-1-methyl-6-oxo-2-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: 154642150
• Molecular Formula: C19H17ClF4N6O5
• Molecular Weight: 520.83 g/mol
• Exact Mass: 520.09
• IUPAC Name: N-(3-chloro-1-methyl-6-oxo-2-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)ccc(=O)n3C)cc2F)c1=O
• InChI: InChI=1S/C19H17ClF4N6O5/c1-3-29-12(7-31)27-30(18(29)34)15-11(21)6-9(17(26-15)35-8-19(22,23)24)16(33)25-14-10(20)4-5-13(32)28(14)2/h4-6,31H,3,7-8H2,1-2H3,(H,25,33)
• InChIKey: GBUAAAGPTRNHLV-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 133.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.83
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-methyl-6-oxo-2-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-chloro-1-methyl-6-oxo-2-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 154642150) is N-(3-chloro-1-methyl-6-oxo-2-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-chloro-1-methyl-6-oxo-2-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-chloro-1-methyl-6-oxo-2-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)ccc(=O)n3C)cc2F)c1=O.

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

What are the key properties of N-(3-chloro-1-methyl-6-oxo-2-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-chloro-1-methyl-6-oxo-2-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 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-methyl-6-oxo-2-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 154642150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).