N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H13F3N2O3 — CID 95769416

About N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 95769416) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 95769416
• Molecular Formula: C16H13F3N2O3
• Molecular Weight: 338.29 g/mol
• Exact Mass: 338.09
• IUPAC Name: N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: O=C(N[C@@H]1CCc2c(O)cccc21)c1ccc(C(F)(F)F)[nH]c1=O
• InChI: InChI=1S/C16H13F3N2O3/c17-16(18,19)13-7-5-10(15(24)21-13)14(23)20-11-6-4-9-8(11)2-1-3-12(9)22/h1-3,5,7,11,22H,4,6H2,(H,20,23)(H,21,24)/t11-/m1/s1
• InChIKey: NLVZHNKUOILPDK-LLVKDONJSA-N
• XLogP: 2.52
• TPSA: 82.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.29
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 95769416) is N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CCc2c(O)cccc21)c1ccc(C(F)(F)F)[nH]c1=O.

What is the InChIKey of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is NLVZHNKUOILPDK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)13-7-5-10(15(24)21-13)14(23)20-11-6-4-9-8(11)2-1-3-12(9)22/h1-3,5,7,11,22H,4,6H2,(H,20,23)(H,21,24)/t11-/m1/s1.

What are the key properties of N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95769416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).