4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide

C21H22N4O — CID 113044092

IUPAC4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-16-9-11-18(12-10-16)21(26)23-20-14-13-19(24-25-20)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyFXEWFVOVADMEGX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds7

About 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide

4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (PubChem CID 113044092) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
PubChem CID113044092
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-16-9-11-18(12-10-16)21(26)23-20-14-13-19(24-25-20)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyFXEWFVOVADMEGX-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (CID 113044092) is 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The InChIKey is FXEWFVOVADMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-9-11-18(12-10-16)21(26)23-20-14-13-19(24-25-20)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-14H,5,8,15H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).