2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide

C21H17N3O4 — CID 9077912

IUPAC2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C21H17N3O4/c25-18(22-23-19(26)12-24-10-4-3-7-20(24)27)11-15-13-28-17-9-8-14-5-1-2-6-16(14)21(15)17/h1-10,13H,11-12H2,(H,22,25)(H,23,26)
InChIKeyVZMTVDIFAHKQJR-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.14
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide

2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide (PubChem CID 9077912) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
PubChem CID9077912
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C21H17N3O4/c25-18(22-23-19(26)12-24-10-4-3-7-20(24)27)11-15-13-28-17-9-8-14-5-1-2-6-16(14)21(15)17/h1-10,13H,11-12H2,(H,22,25)(H,23,26)
InChIKeyVZMTVDIFAHKQJR-UHFFFAOYSA-N
XLogP2.14
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide (CID 9077912) is 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide is O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The InChIKey is VZMTVDIFAHKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-18(22-23-19(26)12-24-10-4-3-7-20(24)27)11-15-13-28-17-9-8-14-5-1-2-6-16(14)21(15)17/h1-10,13H,11-12H2,(H,22,25)(H,23,26).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide has a molecular weight of 375.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide is sourced from PubChem (CID 9077912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).