2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide

C15H26N4O — CID 113044637

IUPAC2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
SMILESCCCCCNc1ccc(NC(=O)C(CC)CC)nn1
InChIInChI=1S/C15H26N4O/c1-4-7-8-11-16-13-9-10-14(19-18-13)17-15(20)12(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyJIOTVVOVVPHQLM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.45
Rot. Bonds9

About 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide

2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide (PubChem CID 113044637) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
PubChem CID113044637
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
SMILESCCCCCNc1ccc(NC(=O)C(CC)CC)nn1
InChIInChI=1S/C15H26N4O/c1-4-7-8-11-16-13-9-10-14(19-18-13)17-15(20)12(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyJIOTVVOVVPHQLM-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.45
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

2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
2-ethyl-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113043185
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
CID 113043351
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide (CID 113044637) is 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide is CCCCCNc1ccc(NC(=O)C(CC)CC)nn1.
What is the InChIKey of 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide?
The InChIKey is JIOTVVOVVPHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-8-11-16-13-9-10-14(19-18-13)17-15(20)12(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,16,18)(H,17,19,20).
What are the key properties of 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide?
2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113044637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).