N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide

C19H22N4O2 — CID 113042461

IUPACN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCc3ccccc3C2)nn1)C1CCOCC1
InChIInChI=1S/C19H22N4O2/c24-19(15-8-11-25-12-9-15)20-17-5-6-18(22-21-17)23-10-7-14-3-1-2-4-16(14)13-23/h1-6,15H,7-13H2,(H,20,21,24)
InChIKeyOKBSDQKVZYGBAG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.40
Rot. Bonds3

About N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide

N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 113042461) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide
PubChem CID113042461
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCc3ccccc3C2)nn1)C1CCOCC1
InChIInChI=1S/C19H22N4O2/c24-19(15-8-11-25-12-9-15)20-17-5-6-18(22-21-17)23-10-7-14-3-1-2-4-16(14)13-23/h1-6,15H,7-13H2,(H,20,21,24)
InChIKeyOKBSDQKVZYGBAG-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]oxane-4-carboxamide
CID 113050717
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]cyclohexanecarboxamide
CID 113013105
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042446
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
CID 113046028
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
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
N-(6-pyrrolidin-1-ylpyridazin-3-yl)oxolane-2-carboxamide
CID 113038690
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide (CID 113042461) is N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide is O=C(Nc1ccc(N2CCc3ccccc3C2)nn1)C1CCOCC1.
What is the InChIKey of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide?
The InChIKey is OKBSDQKVZYGBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(15-8-11-25-12-9-15)20-17-5-6-18(22-21-17)23-10-7-14-3-1-2-4-16(14)13-23/h1-6,15H,7-13H2,(H,20,21,24).
What are the key properties of N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide?
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 113042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).