3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 2971285

IUPAC3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-11-14-5-3-4-6-15(14)21-16(11)17(20)19-12(2)13-7-9-18-10-8-13/h3-10,12H,1-2H3,(H,19,20)
InChIKeyAQEKEURITODLTD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.63
Rot. Bonds3

About 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 2971285) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID2971285
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12
InChIInChI=1S/C17H16N2O2/c1-11-14-5-3-4-6-15(14)21-16(11)17(20)19-12(2)13-7-9-18-10-8-13/h3-10,12H,1-2H3,(H,19,20)
InChIKeyAQEKEURITODLTD-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 2971285) is 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AQEKEURITODLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-14-5-3-4-6-15(14)21-16(11)17(20)19-12(2)13-7-9-18-10-8-13/h3-10,12H,1-2H3,(H,19,20).
What are the key properties of 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2971285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).