N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C20H19N3O4 — CID 55657959

IUPACN-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O4/c1-26-13-14-27-17-9-7-15(8-10-17)21-20(25)18-11-12-19(24)23(22-18)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyDQMUTDGDLJLCAJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.51
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55657959) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55657959
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O4/c1-26-13-14-27-17-9-7-15(8-10-17)21-20(25)18-11-12-19(24)23(22-18)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyDQMUTDGDLJLCAJ-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 37401680
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31979037
N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31903731
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 55657959) is N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide is COCCOc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DQMUTDGDLJLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-13-14-27-17-9-7-15(8-10-17)21-20(25)18-11-12-19(24)23(22-18)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,25).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55657959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).