1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H18BrN3O3 — CID 5166942

IUPAC1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1=NN(c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C19H18BrN3O3/c1-26-17-5-3-2-4-13(17)12-21-19(25)16-10-11-18(24)23(22-16)15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyALDGJSPLLVTMEA-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 5166942) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID5166942
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1=NN(c2ccc(Br)cc2)C(=O)CC1
InChIInChI=1S/C19H18BrN3O3/c1-26-17-5-3-2-4-13(17)12-21-19(25)16-10-11-18(24)23(22-16)15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyALDGJSPLLVTMEA-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858203
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3992311
1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
N-(2-methoxyphenyl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 60533692
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
1-methyl-6-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24548648
(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9273864
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383991
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 5166942) is 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccccc1CNC(=O)C1=NN(c2ccc(Br)cc2)C(=O)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ALDGJSPLLVTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-26-17-5-3-2-4-13(17)12-21-19(25)16-10-11-18(24)23(22-16)15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.26, 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-[(2-methoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 5166942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).