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

C19H24BrN3O2 — CID 3537598

IUPAC1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1=NN(c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C19H24BrN3O2/c20-14-8-10-16(11-9-14)23-18(24)13-12-17(22-23)19(25)21-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,21,25)
InChIKeyNZHYACKHJOSWLW-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.16
Rot. Bonds3

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

1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3537598) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID3537598
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1=NN(c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C19H24BrN3O2/c20-14-8-10-16(11-9-14)23-18(24)13-12-17(22-23)19(25)21-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,21,25)
InChIKeyNZHYACKHJOSWLW-UHFFFAOYSA-N
XLogP4.16
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941051
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146095742
N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 71939366
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
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
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47010097
1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4283336
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 3537598) is 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(NC1CCCCCCC1)C1=NN(c2ccc(Br)cc2)C(=O)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NZHYACKHJOSWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c20-14-8-10-16(11-9-14)23-18(24)13-12-17(22-23)19(25)21-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3537598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).