5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C18H18N2O2 — CID 852715

IUPAC5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1
InChIInChI=1S/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyBZBOGASGNISDCM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.63
Rot. Bonds4

About 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 852715) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID852715
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1
InChIInChI=1S/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyBZBOGASGNISDCM-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 852715) is 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is BZBOGASGNISDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 852715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).