1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide

C22H23N3O3 — CID 55342870

IUPAC1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1=O
InChIInChI=1S/C22H23N3O3/c1-3-4-14-25-21(26)13-12-20(24-25)22(27)23-17-8-10-18(11-9-17)28-19-7-5-6-16(2)15-19/h5-13,15H,3-4,14H2,1-2H3,(H,23,27)
InChIKeyYAFUUTAGMVTKDW-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.40
Rot. Bonds7

About 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 55342870) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID55342870
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1=O
InChIInChI=1S/C22H23N3O3/c1-3-4-14-25-21(26)13-12-20(24-25)22(27)23-17-8-10-18(11-9-17)28-19-7-5-6-16(2)15-19/h5-13,15H,3-4,14H2,1-2H3,(H,23,27)
InChIKeyYAFUUTAGMVTKDW-UHFFFAOYSA-N
XLogP4.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30725741
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide (CID 55342870) is 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1=O.
What is the InChIKey of 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YAFUUTAGMVTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-4-14-25-21(26)13-12-20(24-25)22(27)23-17-8-10-18(11-9-17)28-19-7-5-6-16(2)15-19/h5-13,15H,3-4,14H2,1-2H3,(H,23,27).
What are the key properties of 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55342870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).