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

C19H18BrN3O3 — CID 3829150

IUPAC1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)cc1
InChIInChI=1S/C19H18BrN3O3/c1-2-26-16-9-5-14(6-10-16)21-19(25)17-11-12-18(24)23(22-17)15-7-3-13(20)4-8-15/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyWQEMTWNHDSSNFO-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.97
Rot. Bonds5

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

1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3829150) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID3829150
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)cc1
InChIInChI=1S/C19H18BrN3O3/c1-2-26-16-9-5-14(6-10-16)21-19(25)17-11-12-18(24)23(22-17)15-7-3-13(20)4-8-15/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyWQEMTWNHDSSNFO-UHFFFAOYSA-N
XLogP3.97
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4679749
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4673811
N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 22107791
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3537598
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30278526
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5166942

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 3829150) is 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCOc1ccc(NC(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is WQEMTWNHDSSNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-2-26-16-9-5-14(6-10-16)21-19(25)17-11-12-18(24)23(22-17)15-7-3-13(20)4-8-15/h3-10H,2,11-12H2,1H3,(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3829150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).