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

C21H22N4O2 — CID 113044097

IUPAC3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-18-11-5-10-17(15-18)21(26)23-20-13-12-19(24-25-20)22-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-13,15H,6,9,14H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyARBMCXRLDXBWON-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.78
Rot. Bonds8

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

3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (PubChem CID 113044097) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
PubChem CID113044097
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-18-11-5-10-17(15-18)21(26)23-20-13-12-19(24-25-20)22-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-13,15H,6,9,14H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyARBMCXRLDXBWON-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
methyl 3-[[6-(3-phenylpropylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109124556
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide (CID 113044097) is 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is COc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)nn2)c1.
What is the InChIKey of 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
The InChIKey is ARBMCXRLDXBWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-11-5-10-17(15-18)21(26)23-20-13-12-19(24-25-20)22-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-13,15H,6,9,14H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide?
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).