2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide

C16H13N5O2 — CID 167164159

IUPAC2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide
SMILES[N-]=[N+]=NCC(=O)NC(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13N5O2/c17-21-19-10-15(22)20-16(12-5-3-7-18-9-12)14-8-11-4-1-2-6-13(11)23-14/h1-9,16H,10H2,(H,20,22)
InChIKeyLNWDQWKQMZDCJO-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.34
Rot. Bonds5

About 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide

2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide (PubChem CID 167164159) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide
PubChem CID167164159
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide
SMILES[N-]=[N+]=NCC(=O)NC(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13N5O2/c17-21-19-10-15(22)20-16(12-5-3-7-18-9-12)14-8-11-4-1-2-6-13(11)23-14/h1-9,16H,10H2,(H,20,22)
InChIKeyLNWDQWKQMZDCJO-UHFFFAOYSA-N
XLogP3.34
TPSA103.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide (CID 167164159) is 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide is [N-]=[N+]=NCC(=O)NC(c1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide?
The InChIKey is LNWDQWKQMZDCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-21-19-10-15(22)20-16(12-5-3-7-18-9-12)14-8-11-4-1-2-6-13(11)23-14/h1-9,16H,10H2,(H,20,22).
What are the key properties of 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide?
2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide has a molecular weight of 307.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[1-benzofuran-2-yl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 167164159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).