2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide

C14H22N4O3 — CID 103223192

IUPAC2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESNCCCOc1cnn(CC(=O)NC2CCCC2)c(=O)c1
InChIInChI=1S/C14H22N4O3/c15-6-3-7-21-12-8-14(20)18(16-9-12)10-13(19)17-11-4-1-2-5-11/h8-9,11H,1-7,10,15H2,(H,17,19)
InChIKeyJDBXIRNFGUCIBA-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.03
Rot. Bonds7

About 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide

2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (PubChem CID 103223192) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
PubChem CID103223192
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESNCCCOc1cnn(CC(=O)NC2CCCC2)c(=O)c1
InChIInChI=1S/C14H22N4O3/c15-6-3-7-21-12-8-14(20)18(16-9-12)10-13(19)17-11-4-1-2-5-11/h8-9,11H,1-7,10,15H2,(H,17,19)
InChIKeyJDBXIRNFGUCIBA-UHFFFAOYSA-N
XLogP0.03
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (CID 103223192) is 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is NCCCOc1cnn(CC(=O)NC2CCCC2)c(=O)c1.
What is the InChIKey of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is JDBXIRNFGUCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c15-6-3-7-21-12-8-14(20)18(16-9-12)10-13(19)17-11-4-1-2-5-11/h8-9,11H,1-7,10,15H2,(H,17,19).
What are the key properties of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 294.36 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 103223192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).