N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H11F3N2O2S — CID 119101817

IUPACN-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)14-6-3-10(8-20-14)15(22)21-9-11-4-5-12(23-11)13-2-1-7-24-13/h1-8H,9H2,(H,21,22)
InChIKeyFDDDDRVKMUPHMT-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.35
Rot. Bonds4

About N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 119101817) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID119101817
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)14-6-3-10(8-20-14)15(22)21-9-11-4-5-12(23-11)13-2-1-7-24-13/h1-8H,9H2,(H,21,22)
InChIKeyFDDDDRVKMUPHMT-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 91632186
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
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
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122264352
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 119101817) is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FDDDDRVKMUPHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)14-6-3-10(8-20-14)15(22)21-9-11-4-5-12(23-11)13-2-1-7-24-13/h1-8H,9H2,(H,21,22).
What are the key properties of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119101817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).