N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide

C16H17N3O3 — CID 4780082

IUPACN'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H17N3O3/c20-15(7-4-12-22-14-5-2-1-3-6-14)18-19-16(21)13-8-10-17-11-9-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,20)(H,19,21)
InChIKeyBDWUJMPCSYMWKL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.70
Rot. Bonds6

About N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide

N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide (PubChem CID 4780082) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide
PubChem CID4780082
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H17N3O3/c20-15(7-4-12-22-14-5-2-1-3-6-14)18-19-16(21)13-8-10-17-11-9-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,20)(H,19,21)
InChIKeyBDWUJMPCSYMWKL-UHFFFAOYSA-N
XLogP1.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenoxybutanoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide (CID 4780082) is N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide is O=C(CCCOc1ccccc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide?
The InChIKey is BDWUJMPCSYMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(7-4-12-22-14-5-2-1-3-6-14)18-19-16(21)13-8-10-17-11-9-13/h1-3,5-6,8-11H,4,7,12H2,(H,18,20)(H,19,21).
What are the key properties of N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide?
N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 4780082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).