N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H15Cl2F3N2O3 — CID 155464232

About N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464232) has the molecular formula C22H15Cl2F3N2O3 and a molecular weight of 483.27 g/mol. Its IUPAC name is N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 155464232
• Molecular Formula: C22H15Cl2F3N2O3
• Molecular Weight: 483.27 g/mol
• Exact Mass: 482.04
• IUPAC Name: N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: CCc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cccc(Cl)c32)c(=O)[nH]c1C(F)(F)F
• InChI: InChI=1S/C22H15Cl2F3N2O3/c1-2-10-8-13(21(31)29-19(10)22(25,26)27)20(30)28-18-12-7-6-11(23)9-16(12)32-15-5-3-4-14(24)17(15)18/h3-9,18H,2H2,1H3,(H,28,30)(H,29,31)
• InChIKey: MAEDBSMCGWTMFD-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 71.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.27
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464232) is N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1cc(C(=O)NC2c3ccc(Cl)cc3Oc3cccc(Cl)c32)c(=O)[nH]c1C(F)(F)F.

What is the InChIKey of N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is MAEDBSMCGWTMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N2O3/c1-2-10-8-13(21(31)29-19(10)22(25,26)27)20(30)28-18-12-7-6-11(23)9-16(12)32-15-5-3-4-14(24)17(15)18/h3-9,18H,2H2,1H3,(H,28,30)(H,29,31).

What are the key properties of N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 483.27 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).