N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H13F3N2O3 — CID 155464465

IUPACN-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)OCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H13F3N2O3/c1-8-2-3-9-11(7-24-12(9)6-8)20-14(22)10-4-5-13(16(17,18)19)21-15(10)23/h2-6,11H,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyYRJYBWUUEGXUND-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.57
Rot. Bonds2

About N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464465) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464465
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)OCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H13F3N2O3/c1-8-2-3-9-11(7-24-12(9)6-8)20-14(22)10-4-5-13(16(17,18)19)21-15(10)23/h2-6,11H,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyYRJYBWUUEGXUND-UHFFFAOYSA-N
XLogP2.57
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464465) is N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)OCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YRJYBWUUEGXUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-8-2-3-9-11(7-24-12(9)6-8)20-14(22)10-4-5-13(16(17,18)19)21-15(10)23/h2-6,11H,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).