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

C21H26N4O — CID 109121742

IUPACN-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C21H26N4O/c26-21(22-18-9-3-1-2-4-10-18)19-11-12-20(24-23-19)25-14-13-16-7-5-6-8-17(16)15-25/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,22,26)
InChIKeyKGKQAZBJDJZVKS-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.49
Rot. Bonds3

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

N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (PubChem CID 109121742) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
PubChem CID109121742
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C21H26N4O/c26-21(22-18-9-3-1-2-4-10-18)19-11-12-20(24-23-19)25-14-13-16-7-5-6-8-17(16)15-25/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,22,26)
InChIKeyKGKQAZBJDJZVKS-UHFFFAOYSA-N
XLogP3.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
CID 109250307
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
N-cycloheptyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109125067
N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide
CID 141336844
1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 113013160
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)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (CID 109121742) is N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The InChIKey is KGKQAZBJDJZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(22-18-9-3-1-2-4-10-18)19-11-12-20(24-23-19)25-14-13-16-7-5-6-8-17(16)15-25/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,22,26).
What are the key properties of N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).