6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide

C17H13N3O3 — CID 86975908

IUPAC6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H13N3O3/c21-16-10-9-15(19-20-16)17(22)18-12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,18,22)(H,20,21)
InChIKeyXXRZOVJKVVDTGL-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.81
Rot. Bonds4

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

6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide (PubChem CID 86975908) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
PubChem CID86975908
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H13N3O3/c21-16-10-9-15(19-20-16)17(22)18-12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,18,22)(H,20,21)
InChIKeyXXRZOVJKVVDTGL-UHFFFAOYSA-N
XLogP2.81
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 122151177
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
2-oxo-N-(3-phenoxyphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692554
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide (CID 86975908) is 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide is O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide?
The InChIKey is XXRZOVJKVVDTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16-10-9-15(19-20-16)17(22)18-12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,18,22)(H,20,21).
What are the key properties of 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 86975908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).