N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide

C16H13N3O3 — CID 71570045

IUPACN-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C16H13N3O3/c1-10(20)18-15-7-6-12(9-17-15)19-16(21)14-8-11-4-2-3-5-13(11)22-14/h2-9H,1H3,(H,19,21)(H,17,18,20)
InChIKeyDPIWUDIQWQYVBK-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.04
Rot. Bonds3

About N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide

N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 71570045) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID71570045
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cn1
InChIInChI=1S/C16H13N3O3/c1-10(20)18-15-7-6-12(9-17-15)19-16(21)14-8-11-4-2-3-5-13(11)22-14/h2-9H,1H3,(H,19,21)(H,17,18,20)
InChIKeyDPIWUDIQWQYVBK-UHFFFAOYSA-N
XLogP3.04
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 71570045) is N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is DPIWUDIQWQYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10(20)18-15-7-6-12(9-17-15)19-16(21)14-8-11-4-2-3-5-13(11)22-14/h2-9H,1H3,(H,19,21)(H,17,18,20).
What are the key properties of N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide?
N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71570045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).