6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide

C13H11Cl2N3O3 — CID 60859836

IUPAC6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)nn2)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c1-20-10-6-11(21-2)9(5-7(10)14)16-13(19)8-3-4-12(15)18-17-8/h3-6H,1-2H3,(H,16,19)
InChIKeyPAIBGIHZUXLZPZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.05
Rot. Bonds4

About 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide

6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 60859836) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID60859836
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)nn2)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c1-20-10-6-11(21-2)9(5-7(10)14)16-13(19)8-3-4-12(15)18-17-8/h3-6H,1-2H3,(H,16,19)
InChIKeyPAIBGIHZUXLZPZ-UHFFFAOYSA-N
XLogP3.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 60859833
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33316078
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116283
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide (CID 60859836) is 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide is COc1cc(OC)c(NC(=O)c2ccc(Cl)nn2)cc1Cl.
What is the InChIKey of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is PAIBGIHZUXLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-20-10-6-11(21-2)9(5-7(10)14)16-13(19)8-3-4-12(15)18-17-8/h3-6H,1-2H3,(H,16,19).
What are the key properties of 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 328.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 60859836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).