N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H27N3O2 — CID 941051

IUPACN-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)NC3CCCCCCC3)CCC2=O)cc1
InChIInChI=1S/C20H27N3O2/c1-15-9-11-17(12-10-15)23-19(24)14-13-18(22-23)20(25)21-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,21,25)
InChIKeyWCEOSUSYTYEVFZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.71
Rot. Bonds3

About N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 941051) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID941051
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)NC3CCCCCCC3)CCC2=O)cc1
InChIInChI=1S/C20H27N3O2/c1-15-9-11-17(12-10-15)23-19(24)14-13-18(22-23)20(25)21-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,21,25)
InChIKeyWCEOSUSYTYEVFZ-UHFFFAOYSA-N
XLogP3.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3537598
1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 71939366
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47010097
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 5152065
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 94867347
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 41252977

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 941051) is N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(N2N=C(C(=O)NC3CCCCCCC3)CCC2=O)cc1.
What is the InChIKey of N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is WCEOSUSYTYEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-9-11-17(12-10-15)23-19(24)14-13-18(22-23)20(25)21-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,21,25).
What are the key properties of N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 941051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).