6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide

C20H20N4O — CID 109126815

IUPAC6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccccc3C)nn2)cc1C
InChIInChI=1S/C20H20N4O/c1-13-8-9-16(12-15(13)3)21-19-11-10-18(23-24-19)20(25)22-17-7-5-4-6-14(17)2/h4-12H,1-3H3,(H,21,24)(H,22,25)
InChIKeyDHKIZLPFJIKNJX-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.40
Rot. Bonds4

About 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide

6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109126815) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide
PubChem CID109126815
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccccc3C)nn2)cc1C
InChIInChI=1S/C20H20N4O/c1-13-8-9-16(12-15(13)3)21-19-11-10-18(23-24-19)20(25)22-17-7-5-4-6-14(17)2/h4-12H,1-3H3,(H,21,24)(H,22,25)
InChIKeyDHKIZLPFJIKNJX-UHFFFAOYSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
methyl 2-[[6-(3-chloro-4-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128960
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
methyl 4-chloro-3-[[6-(2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109126784

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide (CID 109126815) is 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)Nc3ccccc3C)nn2)cc1C.
What is the InChIKey of 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is DHKIZLPFJIKNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-8-9-16(12-15(13)3)21-19-11-10-18(23-24-19)20(25)22-17-7-5-4-6-14(17)2/h4-12H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide?
6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).