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

C25H19F3N2O6 — CID 76798297

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

2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide (PubChem CID 76798297) 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-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide
• PubChem CID: 76798297
• 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-3-carboxamide
• SMILES: O=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1cccnc1OCC(O)CO
• InChI: InChI=1S/C25H19F3N2O6/c26-25(27,28)15-5-1-4-14(10-15)21-11-20(33)17-6-2-8-19(22(17)36-21)30-23(34)18-7-3-9-29-24(18)35-13-16(32)12-31/h1-11,16,31-32H,12-13H2,(H,30,34)
• InChIKey: GEMXUNATCVICBL-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-3-carboxamide?

The IUPAC name of 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide (CID 76798297) is 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide is O=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1cccnc1OCC(O)CO.

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

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

2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 76798297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).