6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide

C20H19ClN4O — CID 109119838

IUPAC6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H19ClN4O/c1-13-9-14(2)11-17(10-13)23-20(26)18-7-8-19(25-24-18)22-12-15-3-5-16(21)6-4-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCXMRRQTUFKGWPE-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109119838) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
PubChem CID109119838
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H19ClN4O/c1-13-9-14(2)11-17(10-13)23-20(26)18-7-8-19(25-24-18)22-12-15-3-5-16(21)6-4-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCXMRRQTUFKGWPE-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854
N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121355
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580
N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide (CID 109119838) is 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is CXMRRQTUFKGWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-9-14(2)11-17(10-13)23-20(26)18-7-8-19(25-24-18)22-12-15-3-5-16(21)6-4-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).