6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide

C19H17N3O3 — CID 167992049

IUPAC6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C19H17N3O3/c23-18-11-10-16(21-22-18)19(24)20-15-8-4-5-9-17(15)25-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,24)(H,22,23)
InChIKeyAQOSRTZDGSRKQO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.64
Rot. Bonds6

About 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide (PubChem CID 167992049) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
PubChem CID167992049
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C19H17N3O3/c23-18-11-10-16(21-22-18)19(24)20-15-8-4-5-9-17(15)25-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,24)(H,22,23)
InChIKeyAQOSRTZDGSRKQO-UHFFFAOYSA-N
XLogP2.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 112790938
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
ethyl 2-methyl-6-[[2-(2-phenylethoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55675187
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 131902671
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
2-(2-formylphenoxy)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60513932
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide (CID 167992049) is 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide is O=C(Nc1ccccc1OCCc1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The InChIKey is AQOSRTZDGSRKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18-11-10-16(21-22-18)19(24)20-15-8-4-5-9-17(15)25-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,24)(H,22,23).
What are the key properties of 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 167992049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).