N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide

C20H24FN3O2 — CID 47089546

IUPACN-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CCCCCCC1
InChIInChI=1S/C20H24FN3O2/c1-23(16-7-5-3-2-4-6-8-16)20(26)18-13-14-19(25)24(22-18)17-11-9-15(21)10-12-17/h9-14,16H,2-8H2,1H3
InChIKeyPXPFUQAKRDSITL-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.56
Rot. Bonds3

About N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide

N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 47089546) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID47089546
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CCCCCCC1
InChIInChI=1S/C20H24FN3O2/c1-23(16-7-5-3-2-4-6-8-16)20(26)18-13-14-19(25)24(22-18)17-11-9-15(21)10-12-17/h9-14,16H,2-8H2,1H3
InChIKeyPXPFUQAKRDSITL-UHFFFAOYSA-N
XLogP3.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 100676394
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 56819222
2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 110888367
methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 51114145
6-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 124589320
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
CID 124574819
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55630714
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193091
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide (CID 47089546) is N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PXPFUQAKRDSITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23(16-7-5-3-2-4-6-8-16)20(26)18-13-14-19(25)24(22-18)17-11-9-15(21)10-12-17/h9-14,16H,2-8H2,1H3.
What are the key properties of N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide?
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47089546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).