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

C17H21N3O3 — CID 30780750

IUPACN-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)18-16(22)14-9-10-15(21)20(19-14)11-12-23-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,18,22)
InChIKeyRPJHDNSKUAMOFZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.85
Rot. Bonds5

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

N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 30780750) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID30780750
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)18-16(22)14-9-10-15(21)20(19-14)11-12-23-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,18,22)
InChIKeyRPJHDNSKUAMOFZ-UHFFFAOYSA-N
XLogP1.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 55430048
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
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
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 30780750) is N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is RPJHDNSKUAMOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)18-16(22)14-9-10-15(21)20(19-14)11-12-23-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,18,22).
What are the key properties of N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 30780750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).