N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide

C19H23FN4O3 — CID 53200812

IUPACN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide
SMILESCCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C19H23FN4O3/c1-2-24-19(26)18(23-10-4-3-5-11-23)16(12-21-24)22-17(25)13-27-15-8-6-14(20)7-9-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,22,25)
InChIKeyVSWOMKLSIAWSRA-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.41
Rot. Bonds6

About N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide

N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 53200812) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID53200812
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide
SMILESCCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCCCC2)c1=O
InChIInChI=1S/C19H23FN4O3/c1-2-24-19(26)18(23-10-4-3-5-11-23)16(12-21-24)22-17(25)13-27-15-8-6-14(20)7-9-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,22,25)
InChIKeyVSWOMKLSIAWSRA-UHFFFAOYSA-N
XLogP2.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide (CID 53200812) is N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide is CCn1ncc(NC(=O)COc2ccc(F)cc2)c(N2CCCCC2)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is VSWOMKLSIAWSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-24-19(26)18(23-10-4-3-5-11-23)16(12-21-24)22-17(25)13-27-15-8-6-14(20)7-9-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,22,25).
What are the key properties of N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide?
N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 53200812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).