1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide

C17H20FN3O3 — CID 110887162

IUPAC1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C17H20FN3O3/c1-3-8-20(9-10-22)17(24)16-15(23)11-12(2)21(19-16)14-7-5-4-6-13(14)18/h4-7,11,22H,3,8-10H2,1-2H3
InChIKeyPYIOLFZBOBKTDP-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide (PubChem CID 110887162) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
PubChem CID110887162
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C17H20FN3O3/c1-3-8-20(9-10-22)17(24)16-15(23)11-12(2)21(19-16)14-7-5-4-6-13(14)18/h4-7,11,22H,3,8-10H2,1-2H3
InChIKeyPYIOLFZBOBKTDP-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
N-butyl-N-(2-hydroxyethyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 78855799
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55414588
2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid
CID 119955090
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-N,6-dimethyl-N-(4-methylcyclohexyl)-4-oxopyridazine-3-carboxamide
CID 47014577
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 18120193
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-N-[1-(2-hydroxyphenyl)ethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 71847040
N-(3-amino-2,2-dimethylpropyl)-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide;hydrochloride
CID 119654876

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide (CID 110887162) is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide is CCCN(CCO)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide?
The InChIKey is PYIOLFZBOBKTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-3-8-20(9-10-22)17(24)16-15(23)11-12(2)21(19-16)14-7-5-4-6-13(14)18/h4-7,11,22H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide?
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 110887162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).