N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide

C19H23FN4O2 — CID 91911779

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
SMILESCCn1ncc(N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1=O
InChIInChI=1S/C19H23FN4O2/c1-2-24-19(26)12-17(13-21-24)23-8-6-16(7-9-23)22-18(25)11-14-4-3-5-15(20)10-14/h3-5,10,12-13,16H,2,6-9,11H2,1H3,(H,22,25)
InChIKeyYWSQLGULMAJOAU-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.73
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 91911779) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
PubChem CID91911779
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
SMILESCCn1ncc(N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1=O
InChIInChI=1S/C19H23FN4O2/c1-2-24-19(26)12-17(13-21-24)23-8-6-16(7-9-23)22-18(25)11-14-4-3-5-15(20)10-14/h3-5,10,12-13,16H,2,6-9,11H2,1H3,(H,22,25)
InChIKeyYWSQLGULMAJOAU-UHFFFAOYSA-N
XLogP1.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide (CID 91911779) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide is CCn1ncc(N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is YWSQLGULMAJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-24-19(26)12-17(13-21-24)23-8-6-16(7-9-23)22-18(25)11-14-4-3-5-15(20)10-14/h3-5,10,12-13,16H,2,6-9,11H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91911779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).