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

C19H17ClN4O3 — CID 109128741

IUPAC6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)c(OC)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-7-8-15(17(11-14)27-2)22-19(25)16-9-10-18(24-23-16)21-13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyRVJZWMBYFMDGOQ-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.14
Rot. Bonds6

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

6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109128741) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109128741
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)c(OC)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-7-8-15(17(11-14)27-2)22-19(25)16-9-10-18(24-23-16)21-13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyRVJZWMBYFMDGOQ-UHFFFAOYSA-N
XLogP4.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
N-(2,5-dichlorophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129367
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127745
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
6-(2,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridazine-3-carboxamide
CID 109127873

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide (CID 109128741) is 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)c(OC)c1.
What is the InChIKey of 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is RVJZWMBYFMDGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-14-7-8-15(17(11-14)27-2)22-19(25)16-9-10-18(24-23-16)21-13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide?
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).