N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide

C13H19N3O2 — CID 38335123

IUPACN-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H19N3O2/c17-12-8-7-11(15-16-12)13(18)14-9-3-6-10-4-1-2-5-10/h7-8,10H,1-6,9H2,(H,14,18)(H,16,17)
InChIKeyLFICWCHQWXYHLN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.47
Rot. Bonds5

About N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 38335123) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID38335123
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H19N3O2/c17-12-8-7-11(15-16-12)13(18)14-9-3-6-10-4-1-2-5-10/h7-8,10H,1-6,9H2,(H,14,18)(H,16,17)
InChIKeyLFICWCHQWXYHLN-UHFFFAOYSA-N
XLogP1.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 38335123) is N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCCCC1CCCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LFICWCHQWXYHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-8-7-11(15-16-12)13(18)14-9-3-6-10-4-1-2-5-10/h7-8,10H,1-6,9H2,(H,14,18)(H,16,17).
What are the key properties of N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 38335123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).