6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide

C22H24N4O — CID 109118961

IUPAC6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nn1
InChIInChI=1S/C22H24N4O/c1-26(17-19-11-6-3-7-12-19)21-15-14-20(24-25-21)22(27)23-16-8-13-18-9-4-2-5-10-18/h2-7,9-12,14-15H,8,13,16-17H2,1H3,(H,23,27)
InChIKeyRDZKWUPSKNCUHY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.48
Rot. Bonds8

About 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide

6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide (PubChem CID 109118961) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
PubChem CID109118961
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nn1
InChIInChI=1S/C22H24N4O/c1-26(17-19-11-6-3-7-12-19)21-15-14-20(24-25-21)22(27)23-16-8-13-18-9-4-2-5-10-18/h2-7,9-12,14-15H,8,13,16-17H2,1H3,(H,23,27)
InChIKeyRDZKWUPSKNCUHY-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123397
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109118948
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide (CID 109118961) is 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide?
The InChIKey is RDZKWUPSKNCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26(17-19-11-6-3-7-12-19)21-15-14-20(24-25-21)22(27)23-16-8-13-18-9-4-2-5-10-18/h2-7,9-12,14-15H,8,13,16-17H2,1H3,(H,23,27).
What are the key properties of 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide?
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109118961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).