N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C18H23N3O3 — CID 167941403

IUPACN-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C18H23N3O3/c1-18(2,3)20(4)17(23)15-10-11-16(22)21(19-15)12-13-24-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChIKeyQVBIGWLWVZPWDF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.19
Rot. Bonds5

About N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 167941403) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID167941403
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C18H23N3O3/c1-18(2,3)20(4)17(23)15-10-11-16(22)21(19-15)12-13-24-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChIKeyQVBIGWLWVZPWDF-UHFFFAOYSA-N
XLogP2.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-ethyl-N-(2-ethylbutyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55688997
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818105
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55985605
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38661688
(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 167941403) is N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is QVBIGWLWVZPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)20(4)17(23)15-10-11-16(22)21(19-15)12-13-24-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 167941403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).