N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide

C16H12N2O3 — CID 140967943

IUPACN-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide
SMILESCC(=O)Nc1ccc2cc(C(=O)c3ccncc3)oc2c1
InChIInChI=1S/C16H12N2O3/c1-10(19)18-13-3-2-12-8-15(21-14(12)9-13)16(20)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyZDHOYZISSNJNBT-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.02
Rot. Bonds3

About N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide

N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide (PubChem CID 140967943) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide
PubChem CID140967943
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide
SMILESCC(=O)Nc1ccc2cc(C(=O)c3ccncc3)oc2c1
InChIInChI=1S/C16H12N2O3/c1-10(19)18-13-3-2-12-8-15(21-14(12)9-13)16(20)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyZDHOYZISSNJNBT-UHFFFAOYSA-N
XLogP3.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide?
The IUPAC name of N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide (CID 140967943) is N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide.
What is the SMILES notation for N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide?
The canonical SMILES for N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide is CC(=O)Nc1ccc2cc(C(=O)c3ccncc3)oc2c1.
What is the InChIKey of N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide?
The InChIKey is ZDHOYZISSNJNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(19)18-13-3-2-12-8-15(21-14(12)9-13)16(20)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide?
N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide is sourced from PubChem (CID 140967943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).