[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone

C18H21FN4O — CID 109112658

IUPAC[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCCc2ccc(F)cc2)nn1)N1CCCCC1
InChIInChI=1S/C18H21FN4O/c19-15-6-4-14(5-7-15)10-11-20-17-9-8-16(21-22-17)18(24)23-12-2-1-3-13-23/h4-9H,1-3,10-13H2,(H,20,22)
InChIKeyFOEGMAJZZQLJME-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.90
Rot. Bonds5

About [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone

[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109112658) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109112658
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCCc2ccc(F)cc2)nn1)N1CCCCC1
InChIInChI=1S/C18H21FN4O/c19-15-6-4-14(5-7-15)10-11-20-17-9-8-16(21-22-17)18(24)23-12-2-1-3-13-23/h4-9H,1-3,10-13H2,(H,20,22)
InChIKeyFOEGMAJZZQLJME-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109112300
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119827
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113349
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122067
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109112658) is [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone is O=C(c1ccc(NCCc2ccc(F)cc2)nn1)N1CCCCC1.
What is the InChIKey of [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is FOEGMAJZZQLJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-6-4-14(5-7-15)10-11-20-17-9-8-16(21-22-17)18(24)23-12-2-1-3-13-23/h4-9H,1-3,10-13H2,(H,20,22).
What are the key properties of [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 328.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109112658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).