6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide

C22H22N4O — CID 109121762

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C22H22N4O/c1-15-6-5-7-16(2)21(15)23-22(27)19-10-11-20(25-24-19)26-13-12-17-8-3-4-9-18(17)14-26/h3-11H,12-14H2,1-2H3,(H,23,27)
InChIKeyOLIOWBUOZBCNCH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.91
Rot. Bonds3

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109121762) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
PubChem CID109121762
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C22H22N4O/c1-15-6-5-7-16(2)21(15)23-22(27)19-10-11-20(25-24-19)26-13-12-17-8-3-4-9-18(17)14-26/h3-11H,12-14H2,1-2H3,(H,23,27)
InChIKeyOLIOWBUOZBCNCH-UHFFFAOYSA-N
XLogP3.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330561
N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121816
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide (CID 109121762) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is OLIOWBUOZBCNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-6-5-7-16(2)21(15)23-22(27)19-10-11-20(25-24-19)26-13-12-17-8-3-4-9-18(17)14-26/h3-11H,12-14H2,1-2H3,(H,23,27).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).