N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C18H18N4O3 — CID 71899922

IUPACN-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2nccc3ccccc23)ccc1=O
InChIInChI=1S/C18H18N4O3/c1-25-11-10-22-17(23)7-6-15(21-22)18(24)20-12-16-14-5-3-2-4-13(14)8-9-19-16/h2-9H,10-12H2,1H3,(H,20,24)
InChIKeyMLOHRBDHSFSOCM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.37
Rot. Bonds6

About N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 71899922) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID71899922
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2nccc3ccccc23)ccc1=O
InChIInChI=1S/C18H18N4O3/c1-25-11-10-22-17(23)7-6-15(21-22)18(24)20-12-16-14-5-3-2-4-13(14)8-9-19-16/h2-9H,10-12H2,1H3,(H,20,24)
InChIKeyMLOHRBDHSFSOCM-UHFFFAOYSA-N
XLogP1.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 17396464
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 71899922) is N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCc2nccc3ccccc23)ccc1=O.
What is the InChIKey of N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MLOHRBDHSFSOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-11-10-22-17(23)7-6-15(21-22)18(24)20-12-16-14-5-3-2-4-13(14)8-9-19-16/h2-9H,10-12H2,1H3,(H,20,24).
What are the key properties of N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-1-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71899922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).