1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide

C15H16FN3O3 — CID 53157521

IUPAC1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NC(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c1-9(2)17-15(21)14-12(20)8-13(22-3)19(18-14)11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,17,21)
InChIKeyJARWGTYOGQTKOD-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.52
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide

1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 53157521) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID53157521
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NC(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c1-9(2)17-15(21)14-12(20)8-13(22-3)19(18-14)11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,17,21)
InChIKeyJARWGTYOGQTKOD-UHFFFAOYSA-N
XLogP1.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537
6-ethoxy-N-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 53157545
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157656
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
6-methoxy-1-(4-methoxyphenyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 95099143
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24639520
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157498
3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide (CID 53157521) is 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide is COc1cc(=O)c(C(=O)NC(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is JARWGTYOGQTKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9(2)17-15(21)14-12(20)8-13(22-3)19(18-14)11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,17,21).
What are the key properties of 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 53157521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).