N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide

C18H21N3O4 — CID 24979112

IUPACN'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide
SMILESCCOc1ccc(OCCCC(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C18H21N3O4/c1-2-24-15-5-7-16(8-6-15)25-13-3-4-17(22)20-21-18(23)14-9-11-19-12-10-14/h5-12H,2-4,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyVJFOWUZKKQYWDO-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.10
Rot. Bonds8

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

N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide (PubChem CID 24979112) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide
PubChem CID24979112
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide
SMILESCCOc1ccc(OCCCC(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C18H21N3O4/c1-2-24-15-5-7-16(8-6-15)25-13-3-4-17(22)20-21-18(23)14-9-11-19-12-10-14/h5-12H,2-4,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyVJFOWUZKKQYWDO-UHFFFAOYSA-N
XLogP2.10
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.10
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-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide (CID 24979112) is N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide is CCOc1ccc(OCCCC(=O)NNC(=O)c2ccncc2)cc1.
What is the InChIKey of N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide?
The InChIKey is VJFOWUZKKQYWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-24-15-5-7-16(8-6-15)25-13-3-4-17(22)20-21-18(23)14-9-11-19-12-10-14/h5-12H,2-4,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide?
N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide has a molecular weight of 343.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-ethoxyphenoxy)butanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 24979112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).