2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide

C18H21FN4O2 — CID 53012191

IUPAC2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cc2cccc(F)c2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O2/c1-22-18(25)17(23-8-3-2-4-9-23)15(12-20-22)21-16(24)11-13-6-5-7-14(19)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,24)
InChIKeyNLTSJLPGPGMKDR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.09
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide

2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide (PubChem CID 53012191) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
PubChem CID53012191
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cc2cccc(F)c2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O2/c1-22-18(25)17(23-8-3-2-4-9-23)15(12-20-22)21-16(24)11-13-6-5-7-14(19)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,24)
InChIKeyNLTSJLPGPGMKDR-UHFFFAOYSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide (CID 53012191) is 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide is Cn1ncc(NC(=O)Cc2cccc(F)c2)c(N2CCCCC2)c1=O.
What is the InChIKey of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The InChIKey is NLTSJLPGPGMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22-18(25)17(23-8-3-2-4-9-23)15(12-20-22)21-16(24)11-13-6-5-7-14(19)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide is sourced from PubChem (CID 53012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).