N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide

C21H22N4O — CID 109121554

IUPACN-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(NCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O/c1-15-8-9-16(2)19(14-15)23-21(26)18-10-11-20(25-24-18)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRJFZQIQNDCIWFY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.00
Rot. Bonds6

About N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide

N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109121554) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109121554
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(NCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O/c1-15-8-9-16(2)19(14-15)23-21(26)18-10-11-20(25-24-18)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRJFZQIQNDCIWFY-UHFFFAOYSA-N
XLogP4.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide (CID 109121554) is N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc(NCCc3ccccc3)nn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is RJFZQIQNDCIWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-9-16(2)19(14-15)23-21(26)18-10-11-20(25-24-18)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide?
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).