N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide

C17H19FN4O5 — CID 46653810

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
SMILESCOCCn1nc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1=O
InChIInChI=1S/C17H19FN4O5/c1-11(27-14-6-4-3-5-12(14)18)16(24)19-20-17(25)13-7-8-15(23)22(21-13)9-10-26-2/h3-8,11H,9-10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyICEJIDBGNMXECD-UHFFFAOYSA-N
MW378.36 g/mol
LogP0.26
Rot. Bonds7

About N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide (PubChem CID 46653810) has the molecular formula C17H19FN4O5 and a molecular weight of 378.36 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
PubChem CID46653810
Molecular FormulaC17H19FN4O5
Molecular Weight378.36 g/mol
Exact Mass378.13
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide
SMILESCOCCn1nc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1=O
InChIInChI=1S/C17H19FN4O5/c1-11(27-14-6-4-3-5-12(14)18)16(24)19-20-17(25)13-7-8-15(23)22(21-13)9-10-26-2/h3-8,11H,9-10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyICEJIDBGNMXECD-UHFFFAOYSA-N
XLogP0.26
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide (CID 46653810) is N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide is COCCn1nc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1=O.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
The InChIKey is ICEJIDBGNMXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O5/c1-11(27-14-6-4-3-5-12(14)18)16(24)19-20-17(25)13-7-8-15(23)22(21-13)9-10-26-2/h3-8,11H,9-10H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide has a molecular weight of 378.36 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 46653810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).