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

C16H18BrN3O2 — CID 3621209

IUPAC1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)C1=NN(c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C16H18BrN3O2/c17-11-5-7-13(8-6-11)20-15(21)10-9-14(19-20)16(22)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,22)
InChIKeyHEQIOLKSOJXSAT-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.99
Rot. Bonds3

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

1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3621209) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID3621209
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)C1=NN(c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C16H18BrN3O2/c17-11-5-7-13(8-6-11)20-15(21)10-9-14(19-20)16(22)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,22)
InChIKeyHEQIOLKSOJXSAT-UHFFFAOYSA-N
XLogP2.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.99
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-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941051
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
1-(4-bromophenyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4679749
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3829150
1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4673811
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
4-bromo-N-cycloheptylbenzamide
CID 2843132

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 3621209) is 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(NC1CCCC1)C1=NN(c2ccc(Br)cc2)C(=O)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HEQIOLKSOJXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-11-5-7-13(8-6-11)20-15(21)10-9-14(19-20)16(22)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,18,22).
What are the key properties of 1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.99, 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-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3621209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).