6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide

C17H21FN4O2 — CID 109114295

IUPAC6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O2/c1-24-12-2-10-20-17(23)15-7-8-16(22-21-15)19-11-9-13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyGTQJQTDMTZATEQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.04
Rot. Bonds9

About 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide

6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide (PubChem CID 109114295) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
PubChem CID109114295
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O2/c1-24-12-2-10-20-17(23)15-7-8-16(22-21-15)19-11-9-13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyGTQJQTDMTZATEQ-UHFFFAOYSA-N
XLogP2.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122145
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122067
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114105
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide (CID 109114295) is 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide is COCCCNC(=O)c1ccc(NCCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The InChIKey is GTQJQTDMTZATEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-24-12-2-10-20-17(23)15-7-8-16(22-21-15)19-11-9-13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide?
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).