1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide

C22H22FN3O3 — CID 18120193

IUPAC1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C22H22FN3O3/c1-15-8-4-7-11-20(15)29-13-12-25(3)22(28)21-19(27)14-16(2)26(24-21)18-10-6-5-9-17(18)23/h4-11,14H,12-13H2,1-3H3
InChIKeyGNTLQYUFMCSOBK-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.14
Rot. Bonds6

About 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide (PubChem CID 18120193) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
PubChem CID18120193
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C22H22FN3O3/c1-15-8-4-7-11-20(15)29-13-12-25(3)22(28)21-19(27)14-16(2)26(24-21)18-10-6-5-9-17(18)23/h4-11,14H,12-13H2,1-3H3
InChIKeyGNTLQYUFMCSOBK-UHFFFAOYSA-N
XLogP3.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
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-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
N-(3-amino-2,2-dimethylpropyl)-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide;hydrochloride
CID 119654876
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 51230221
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
N-[(2-ethoxyphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60565851
N-[2-(3-fluoroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 27794933
N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 38661301
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide (CID 18120193) is 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is GNTLQYUFMCSOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-8-4-7-11-20(15)29-13-12-25(3)22(28)21-19(27)14-16(2)26(24-21)18-10-6-5-9-17(18)23/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18120193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).