N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide

C16H18FN3O2 — CID 42138736

IUPACN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H18FN3O2/c1-2-15(21)18-10-3-11-20-16(22)9-8-14(19-20)12-4-6-13(17)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyXHHZLEYOPIINOG-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.97
Rot. Bonds6

About N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide

N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide (PubChem CID 42138736) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide
PubChem CID42138736
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H18FN3O2/c1-2-15(21)18-10-3-11-20-16(22)9-8-14(19-20)12-4-6-13(17)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyXHHZLEYOPIINOG-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide (CID 42138736) is N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide is CCC(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
The InChIKey is XHHZLEYOPIINOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-15(21)18-10-3-11-20-16(22)9-8-14(19-20)12-4-6-13(17)7-5-12/h4-9H,2-3,10-11H2,1H3,(H,18,21).
What are the key properties of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide?
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide has a molecular weight of 303.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]propanamide is sourced from PubChem (CID 42138736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).