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

C17H22N4O2 — CID 113044650

IUPAC2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccccc2OC)nn1
InChIInChI=1S/C17H22N4O2/c1-3-4-7-12-18-15-10-11-16(21-20-15)19-17(22)13-8-5-6-9-14(13)23-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyLBYMGWYNCNLSDL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds8

About 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide

2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide (PubChem CID 113044650) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
PubChem CID113044650
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccccc2OC)nn1
InChIInChI=1S/C17H22N4O2/c1-3-4-7-12-18-15-10-11-16(21-20-15)19-17(22)13-8-5-6-9-14(13)23-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyLBYMGWYNCNLSDL-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.34
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

N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043306
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
2-methoxy-N-tridecylbenzamide
CID 139819873
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide (CID 113044650) is 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide is CCCCCNc1ccc(NC(=O)c2ccccc2OC)nn1.
What is the InChIKey of 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The InChIKey is LBYMGWYNCNLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-4-7-12-18-15-10-11-16(21-20-15)19-17(22)13-8-5-6-9-14(13)23-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).