N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H13F3N2O2 — CID 86813146

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cc2ccccc2o1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)15-6-5-12(10-22-15)16(23)21-8-7-13-9-11-3-1-2-4-14(11)24-13/h1-6,9-10H,7-8H2,(H,21,23)
InChIKeyTVFISIDLQDYOEY-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.82
Rot. Bonds4

About N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86813146) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86813146
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cc2ccccc2o1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)15-6-5-12(10-22-15)16(23)21-8-7-13-9-11-3-1-2-4-14(11)24-13/h1-6,9-10H,7-8H2,(H,21,23)
InChIKeyTVFISIDLQDYOEY-UHFFFAOYSA-N
XLogP3.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276
N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
CID 122134954
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124844932
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465076
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86813146) is N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCCc1cc2ccccc2o1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TVFISIDLQDYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)15-6-5-12(10-22-15)16(23)21-8-7-13-9-11-3-1-2-4-14(11)24-13/h1-6,9-10H,7-8H2,(H,21,23).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86813146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).