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

C21H22N4O — CID 113044091

IUPAC3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O/c1-16-7-5-11-18(15-16)21(26)23-20-13-12-19(24-25-20)22-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyIMFRJPRIHMQGKX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds7

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

3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (PubChem CID 113044091) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
PubChem CID113044091
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O/c1-16-7-5-11-18(15-16)21(26)23-20-13-12-19(24-25-20)22-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyIMFRJPRIHMQGKX-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-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
methyl 3-[[6-(3-phenylpropylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109124556
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (CID 113044091) is 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1.
What is the InChIKey of 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The InChIKey is IMFRJPRIHMQGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-7-5-11-18(15-16)21(26)23-20-13-12-19(24-25-20)22-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
3-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 3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).