3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide

C17H19FN4O2 — CID 53200748

IUPAC3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
SMILESCn1ncc(NC(=O)c2cccc(F)c2)c(N2CCCCC2)c1=O
InChIInChI=1S/C17H19FN4O2/c1-21-17(24)15(22-8-3-2-4-9-22)14(11-19-21)20-16(23)12-6-5-7-13(18)10-12/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyQHQSRFAXDBKJOL-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.16
Rot. Bonds3

About 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide

3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide (PubChem CID 53200748) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
PubChem CID53200748
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
SMILESCn1ncc(NC(=O)c2cccc(F)c2)c(N2CCCCC2)c1=O
InChIInChI=1S/C17H19FN4O2/c1-21-17(24)15(22-8-3-2-4-9-22)14(11-19-21)20-16(23)12-6-5-7-13(18)10-12/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyQHQSRFAXDBKJOL-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
The IUPAC name of 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide (CID 53200748) is 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide is Cn1ncc(NC(=O)c2cccc(F)c2)c(N2CCCCC2)c1=O.
What is the InChIKey of 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
The InChIKey is QHQSRFAXDBKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-17(24)15(22-8-3-2-4-9-22)14(11-19-21)20-16(23)12-6-5-7-13(18)10-12/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide?
3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide is sourced from PubChem (CID 53200748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).