6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

C15H16FN3O3 — CID 53157545

IUPAC6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O
InChIInChI=1S/C15H16FN3O3/c1-3-17-15(21)14-12(20)9-13(22-4-2)19(18-14)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,17,21)
InChIKeyXHJIZHNAUGXKCT-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.52
Rot. Bonds5

About 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 53157545) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID53157545
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O
InChIInChI=1S/C15H16FN3O3/c1-3-17-15(21)14-12(20)9-13(22-4-2)19(18-14)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,17,21)
InChIKeyXHJIZHNAUGXKCT-UHFFFAOYSA-N
XLogP1.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
6-ethoxy-1-(4-methylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157517
1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157592
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
CID 53157766
6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 19806953
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one
CID 53157767
1-(3,4-difluorophenyl)-6-ethoxy-3-(thiomorpholine-4-carbonyl)pyridazin-4-one
CID 53338032
1-(3,4-difluorophenyl)-6-ethoxy-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
CID 53157768
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (CID 53157545) is 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is CCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O.
What is the InChIKey of 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is XHJIZHNAUGXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-3-17-15(21)14-12(20)9-13(22-4-2)19(18-14)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,17,21).
What are the key properties of 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53157545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).