N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C18H16BrN3O3 — CID 55906153

IUPACN-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C18H16BrN3O3/c1-25-16-9-7-12(19)11-15(16)20-18(24)14-8-10-17(23)22(21-14)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,24)
InChIKeyDQPUMRORMLXWFW-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.58
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55906153) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID55906153
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C18H16BrN3O3/c1-25-16-9-7-12(19)11-15(16)20-18(24)14-8-10-17(23)22(21-14)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,24)
InChIKeyDQPUMRORMLXWFW-UHFFFAOYSA-N
XLogP3.58
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5166942
1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4673811
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30249845
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5104472
1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4283336
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55722630
N-(2-cyanophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 7711443
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
N-(3-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942417
1-(4-bromophenyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4679749
N-(2-methoxyphenyl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 60533692

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 55906153) is N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is COc1ccc(Br)cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DQPUMRORMLXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-25-16-9-7-12(19)11-15(16)20-18(24)14-8-10-17(23)22(21-14)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,24).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55906153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).