2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide

C17H19FN4O — CID 113038996

IUPAC2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H19FN4O/c18-14-6-4-5-13(11-14)12-17(23)19-15-7-8-16(21-20-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,19,20,23)
InChIKeyQTIPRWFGQKVSNZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.79
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide

2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide (PubChem CID 113038996) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
PubChem CID113038996
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H19FN4O/c18-14-6-4-5-13(11-14)12-17(23)19-15-7-8-16(21-20-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,19,20,23)
InChIKeyQTIPRWFGQKVSNZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]acetamide
CID 113049731
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6412527
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122660230
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide (CID 113038996) is 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide is O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)nn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide?
The InChIKey is QTIPRWFGQKVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-6-4-5-13(11-14)12-17(23)19-15-7-8-16(21-20-15)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,19,20,23).
What are the key properties of 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide?
2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide has a molecular weight of 314.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide is sourced from PubChem (CID 113038996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).