5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide

C17H16N2O2 — CID 100653314

IUPAC5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCc3ccncc3)c2c1
InChIInChI=1S/C17H16N2O2/c1-2-12-3-4-16-14(9-12)15(11-21-16)17(20)19-10-13-5-7-18-8-6-13/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyMWGUOCUIXHDOHI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds4

About 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide

5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 100653314) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID100653314
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCc3ccncc3)c2c1
InChIInChI=1S/C17H16N2O2/c1-2-12-3-4-16-14(9-12)15(11-21-16)17(20)19-10-13-5-7-18-8-6-13/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyMWGUOCUIXHDOHI-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 122141182
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
CID 122158461
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 126828085
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 125144696
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144255
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide (CID 100653314) is 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)NCc3ccncc3)c2c1.
What is the InChIKey of 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is MWGUOCUIXHDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-12-3-4-16-14(9-12)15(11-21-16)17(20)19-10-13-5-7-18-8-6-13/h3-9,11H,2,10H2,1H3,(H,19,20).
What are the key properties of 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide?
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 100653314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).