1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide

C18H15N3O3 — CID 7914842

IUPAC1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1=O
InChIInChI=1S/C18H15N3O3/c1-21-17(22)12-11-16(20-21)18(23)19-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,23)
InChIKeyIDXHSOLZXBASDO-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.82
Rot. Bonds4

About 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide (PubChem CID 7914842) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
PubChem CID7914842
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1=O
InChIInChI=1S/C18H15N3O3/c1-21-17(22)12-11-16(20-21)18(23)19-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,23)
InChIKeyIDXHSOLZXBASDO-UHFFFAOYSA-N
XLogP2.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.82
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
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122313524
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
CID 55342870
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 49214206
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide (CID 7914842) is 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is IDXHSOLZXBASDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-17(22)12-11-16(20-21)18(23)19-13-7-9-15(10-8-13)24-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,23).
What are the key properties of 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 7914842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).