3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide

C12H9Cl2N3O2 — CID 6405267

IUPAC3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-8-4-2-3-7(5-8)15-12(18)9-6-10(13)16-17-11(9)14/h2-6H,1H3,(H,15,18)
InChIKeyXDUMITDDSZTFKG-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.04
Rot. Bonds3

About 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide (PubChem CID 6405267) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
PubChem CID6405267
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-8-4-2-3-7(5-8)15-12(18)9-6-10(13)16-17-11(9)14/h2-6H,1H3,(H,15,18)
InChIKeyXDUMITDDSZTFKG-UHFFFAOYSA-N
XLogP3.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide (CID 6405267) is 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide is COc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide?
The InChIKey is XDUMITDDSZTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-19-8-4-2-3-7(5-8)15-12(18)9-6-10(13)16-17-11(9)14/h2-6H,1H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 6405267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).