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

C22H22N4O — CID 109118828

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N2CCc3ccccc3C2)nn1)c1ccccc1
InChIInChI=1S/C22H22N4O/c1-16(17-7-3-2-4-8-17)23-22(27)20-11-12-21(25-24-20)26-14-13-18-9-5-6-10-19(18)15-26/h2-12,16H,13-15H2,1H3,(H,23,27)
InChIKeyUICMUHUZVIZOBJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.53
Rot. Bonds4

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

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109118828) 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-(1-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
PubChem CID109118828
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N2CCc3ccccc3C2)nn1)c1ccccc1
InChIInChI=1S/C22H22N4O/c1-16(17-7-3-2-4-8-17)23-22(27)20-11-12-21(25-24-20)26-14-13-18-9-5-6-10-19(18)15-26/h2-12,16H,13-15H2,1H3,(H,23,27)
InChIKeyUICMUHUZVIZOBJ-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369244
6-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109117081
6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109116779
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
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)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
[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-(1-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide (CID 109118828) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(N2CCc3ccccc3C2)nn1)c1ccccc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is UICMUHUZVIZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16(17-7-3-2-4-8-17)23-22(27)20-11-12-21(25-24-20)26-14-13-18-9-5-6-10-19(18)15-26/h2-12,16H,13-15H2,1H3,(H,23,27).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.53, 4 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-(1-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109118828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).