6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide

C20H19ClN4O3 — CID 109119698

IUPAC6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCc3ccccc3Cl)nn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-14-7-9-18(28-2)17(11-14)23-20(26)16-8-10-19(25-24-16)22-12-13-5-3-4-6-15(13)21/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPWXXAAGAUKXMMR-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.01
Rot. Bonds7

About 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide

6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109119698) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109119698
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCc3ccccc3Cl)nn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-14-7-9-18(28-2)17(11-14)23-20(26)16-8-10-19(25-24-16)22-12-13-5-3-4-6-15(13)21/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPWXXAAGAUKXMMR-UHFFFAOYSA-N
XLogP4.01
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121963
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190329
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide (CID 109119698) is 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(NCc3ccccc3Cl)nn2)c1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is PWXXAAGAUKXMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-14-7-9-18(28-2)17(11-14)23-20(26)16-8-10-19(25-24-16)22-12-13-5-3-4-6-15(13)21/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide?
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).