1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide

C19H21FN4O4 — CID 53157760

IUPAC1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESCCOc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O4/c1-2-28-16-11-15(25)17(22-24(16)14-5-3-13(20)4-6-14)19(27)23-9-7-12(8-10-23)18(21)26/h3-6,11-12H,2,7-10H2,1H3,(H2,21,26)
InChIKeyIYFIJVKSNPZFAA-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.11
Rot. Bonds5

About 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide

1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 53157760) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
PubChem CID53157760
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESCCOc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O4/c1-2-28-16-11-15(25)17(22-24(16)14-5-3-13(20)4-6-14)19(27)23-9-7-12(8-10-23)18(21)26/h3-6,11-12H,2,7-10H2,1H3,(H2,21,26)
InChIKeyIYFIJVKSNPZFAA-UHFFFAOYSA-N
XLogP1.11
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide (CID 53157760) is 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide is CCOc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is IYFIJVKSNPZFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-2-28-16-11-15(25)17(22-24(16)14-5-3-13(20)4-6-14)19(27)23-9-7-12(8-10-23)18(21)26/h3-6,11-12H,2,7-10H2,1H3,(H2,21,26).
What are the key properties of 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethoxy-1-(4-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53157760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).