2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide

C25H19F3N2O6 — CID 76798298

About 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide

2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide (PubChem CID 76798298) has the molecular formula C25H19F3N2O6 and a molecular weight of 500.43 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide
• PubChem CID: 76798298
• Molecular Formula: C25H19F3N2O6
• Molecular Weight: 500.43 g/mol
• Exact Mass: 500.12
• IUPAC Name: 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1ccnc(OCC(O)CO)c1
• InChI: InChI=1S/C25H19F3N2O6/c26-25(27,28)16-4-1-3-14(9-16)21-11-20(33)18-5-2-6-19(23(18)36-21)30-24(34)15-7-8-29-22(10-15)35-13-17(32)12-31/h1-11,17,31-32H,12-13H2,(H,30,34)
• InChIKey: DGFBBDZHSGHKGA-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 121.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.43
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide (CID 76798298) is 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide is O=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1ccnc(OCC(O)CO)c1.

What is the InChIKey of 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide?

The InChIKey is DGFBBDZHSGHKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O6/c26-25(27,28)16-4-1-3-14(9-16)21-11-20(33)18-5-2-6-19(23(18)36-21)30-24(34)15-7-8-29-22(10-15)35-13-17(32)12-31/h1-11,17,31-32H,12-13H2,(H,30,34).

What are the key properties of 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide?

2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide is sourced from PubChem (CID 76798298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).