N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide

C22H24N4O3 — CID 109121525

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NCCc3ccccc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-10-8-17(14-20(19)29-2)15-24-22(27)18-9-11-21(26-25-18)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYRTVIUNCMUPKKA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109121525) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109121525
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NCCc3ccccc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-10-8-17(14-20(19)29-2)15-24-22(27)18-9-11-21(26-25-18)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYRTVIUNCMUPKKA-UHFFFAOYSA-N
XLogP3.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121100
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109123460
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109120429
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide (CID 109121525) is N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(NCCc3ccccc3)nn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is YRTVIUNCMUPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-10-8-17(14-20(19)29-2)15-24-22(27)18-9-11-21(26-25-18)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).