N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C18H22FN3O4 — CID 32644624

IUPACN-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCCCCOc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C18H22FN3O4/c1-25-13-11-22-17(23)9-8-16(21-22)18(24)20-10-2-3-12-26-15-6-4-14(19)5-7-15/h4-9H,2-3,10-13H2,1H3,(H,20,24)
InChIKeyIFCVNTSNCCGPKP-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.62
Rot. Bonds10

About N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 32644624) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID32644624
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCCCCOc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C18H22FN3O4/c1-25-13-11-22-17(23)9-8-16(21-22)18(24)20-10-2-3-12-26-15-6-4-14(19)5-7-15/h4-9H,2-3,10-13H2,1H3,(H,20,24)
InChIKeyIFCVNTSNCCGPKP-UHFFFAOYSA-N
XLogP1.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 32644624) is N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCCCCOc2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IFCVNTSNCCGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-25-13-11-22-17(23)9-8-16(21-22)18(24)20-10-2-3-12-26-15-6-4-14(19)5-7-15/h4-9H,2-3,10-13H2,1H3,(H,20,24).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32644624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).