1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide

C20H25N3O2 — CID 38857490

IUPAC1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C20H25N3O2/c24-19-13-12-18(22-23(19)15-17-9-2-1-3-10-17)20(25)21-14-6-11-16-7-4-5-8-16/h1-3,9-10,12-13,16H,4-8,11,14-15H2,(H,21,25)
InChIKeyVIANPRVIQFFCKX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.99
Rot. Bonds7

About 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 38857490) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID38857490
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C20H25N3O2/c24-19-13-12-18(22-23(19)15-17-9-2-1-3-10-17)20(25)21-14-6-11-16-7-4-5-8-16/h1-3,9-10,12-13,16H,4-8,11,14-15H2,(H,21,25)
InChIKeyVIANPRVIQFFCKX-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211
1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
CID 119453902
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
1-benzyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 78804750
1-benzyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 32964770

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide (CID 38857490) is 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide is O=C(NCCCC1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is VIANPRVIQFFCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19-13-12-18(22-23(19)15-17-9-2-1-3-10-17)20(25)21-14-6-11-16-7-4-5-8-16/h1-3,9-10,12-13,16H,4-8,11,14-15H2,(H,21,25).
What are the key properties of 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 38857490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).