N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

C18H16BrN3O2 — CID 2009642

IUPACN-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCc1ccccc1N1NC(C(=O)Nc2ccc(Br)cc2)=CCC1=O
InChIInChI=1S/C18H16BrN3O2/c1-12-4-2-3-5-16(12)22-17(23)11-10-15(21-22)18(24)20-14-8-6-13(19)7-9-14/h2-10,21H,11H2,1H3,(H,20,24)
InChIKeyKDZPKFVSCQLDIE-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.52
Rot. Bonds3

About N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (PubChem CID 2009642) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
PubChem CID2009642
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCc1ccccc1N1NC(C(=O)Nc2ccc(Br)cc2)=CCC1=O
InChIInChI=1S/C18H16BrN3O2/c1-12-4-2-3-5-16(12)22-17(23)11-10-15(21-22)18(24)20-14-8-6-13(19)7-9-14/h2-10,21H,11H2,1H3,(H,20,24)
InChIKeyKDZPKFVSCQLDIE-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (CID 2009642) is N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is Cc1ccccc1N1NC(C(=O)Nc2ccc(Br)cc2)=CCC1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The InChIKey is KDZPKFVSCQLDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-4-2-3-5-16(12)22-17(23)11-10-15(21-22)18(24)20-14-8-6-13(19)7-9-14/h2-10,21H,11H2,1H3,(H,20,24).
What are the key properties of N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is sourced from PubChem (CID 2009642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).