6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide

C18H20FN5O — CID 109110446

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C18H20FN5O/c1-2-9-20-18(25)15-7-8-17(22-21-15)24-12-10-23(11-13-24)16-6-4-3-5-14(16)19/h2-8H,1,9-13H2,(H,20,25)
InChIKeyJPSULQHYJBWOEB-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.86
Rot. Bonds5

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110446) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110446
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C18H20FN5O/c1-2-9-20-18(25)15-7-8-17(22-21-15)24-12-10-23(11-13-24)16-6-4-3-5-14(16)19/h2-8H,1,9-13H2,(H,20,25)
InChIKeyJPSULQHYJBWOEB-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114667
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 61254158
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]furan-2-carboxamide
CID 113043760
N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109115996
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(prop-2-enylamino)propan-1-one
CID 109012047
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide (CID 109110446) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is JPSULQHYJBWOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-2-9-20-18(25)15-7-8-17(22-21-15)24-12-10-23(11-13-24)16-6-4-3-5-14(16)19/h2-8H,1,9-13H2,(H,20,25).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide?
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).