N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide

C18H19N3O4 — CID 9441485

IUPACN'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide
SMILESCC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)14-7-9-15(10-8-14)25-12-4-6-17(23)20-21-18(24)16-5-2-3-11-19-16/h2-3,5,7-11H,4,6,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyCYEQGHSOYYFZLY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.90
Rot. Bonds7

About N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide

N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide (PubChem CID 9441485) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide
PubChem CID9441485
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide
SMILESCC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)14-7-9-15(10-8-14)25-12-4-6-17(23)20-21-18(24)16-5-2-3-11-19-16/h2-3,5,7-11H,4,6,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyCYEQGHSOYYFZLY-UHFFFAOYSA-N
XLogP1.90
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide (CID 9441485) is N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide is CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide?
The InChIKey is CYEQGHSOYYFZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)14-7-9-15(10-8-14)25-12-4-6-17(23)20-21-18(24)16-5-2-3-11-19-16/h2-3,5,7-11H,4,6,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide?
N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide has a molecular weight of 341.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-acetylphenoxy)butanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9441485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).