N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide

C17H15N3O3 — CID 7677970

IUPACN'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide
SMILESCc1ccc2c(CC(=O)NNC(=O)c3ccncc3)coc2c1
InChIInChI=1S/C17H15N3O3/c1-11-2-3-14-13(10-23-15(14)8-11)9-16(21)19-20-17(22)12-4-6-18-7-5-12/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyUJBKMXIGQCMGGS-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.14
Rot. Bonds3

About N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide

N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide (PubChem CID 7677970) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide
PubChem CID7677970
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide
SMILESCc1ccc2c(CC(=O)NNC(=O)c3ccncc3)coc2c1
InChIInChI=1S/C17H15N3O3/c1-11-2-3-14-13(10-23-15(14)8-11)9-16(21)19-20-17(22)12-4-6-18-7-5-12/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyUJBKMXIGQCMGGS-UHFFFAOYSA-N
XLogP2.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide (CID 7677970) is N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide is Cc1ccc2c(CC(=O)NNC(=O)c3ccncc3)coc2c1.
What is the InChIKey of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide?
The InChIKey is UJBKMXIGQCMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-2-3-14-13(10-23-15(14)8-11)9-16(21)19-20-17(22)12-4-6-18-7-5-12/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide?
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide has a molecular weight of 309.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 7677970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).