N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C14H15N3O3 — CID 47416715

IUPACN-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C14H15N3O3/c1-3-20-12-6-4-10(8-9(12)2)15-14(19)11-5-7-13(18)17-16-11/h4-8H,3H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQMRDBLKQPMWQES-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.73
Rot. Bonds4

About N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47416715) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47416715
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C
InChIInChI=1S/C14H15N3O3/c1-3-20-12-6-4-10(8-9(12)2)15-14(19)11-5-7-13(18)17-16-11/h4-8H,3H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQMRDBLKQPMWQES-UHFFFAOYSA-N
XLogP1.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
CID 86845707
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9415955
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 47416715) is N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QMRDBLKQPMWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-12-6-4-10(8-9(12)2)15-14(19)11-5-7-13(18)17-16-11/h4-8H,3H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47416715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).