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

C17H15F3N2O3 — CID 155464595

IUPACN-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)OC(C)C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H15F3N2O3/c1-8-3-4-10-12(7-8)25-9(2)14(10)22-16(24)11-5-6-13(17(18,19)20)21-15(11)23/h3-7,9,14H,1-2H3,(H,21,23)(H,22,24)
InChIKeySQIKDIDOKDUXHZ-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.95
Rot. Bonds2

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

N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464595) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464595
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)OC(C)C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H15F3N2O3/c1-8-3-4-10-12(7-8)25-9(2)14(10)22-16(24)11-5-6-13(17(18,19)20)21-15(11)23/h3-7,9,14H,1-2H3,(H,21,23)(H,22,24)
InChIKeySQIKDIDOKDUXHZ-UHFFFAOYSA-N
XLogP2.95
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464595) is N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)OC(C)C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SQIKDIDOKDUXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-8-3-4-10-12(7-8)25-9(2)14(10)22-16(24)11-5-6-13(17(18,19)20)21-15(11)23/h3-7,9,14H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).