3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide

C14H20N4O2 — CID 131914341

IUPAC3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide
SMILESO=C(CCC1=NNC(=O)CC1)NCCCn1cccc1
InChIInChI=1S/C14H20N4O2/c19-13(6-4-12-5-7-14(20)17-16-12)15-8-3-11-18-9-1-2-10-18/h1-2,9-10H,3-8,11H2,(H,15,19)(H,17,20)
InChIKeyRKWAOCCOSBWOGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.04
Rot. Bonds7

About 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide

3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide (PubChem CID 131914341) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide
PubChem CID131914341
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide
SMILESO=C(CCC1=NNC(=O)CC1)NCCCn1cccc1
InChIInChI=1S/C14H20N4O2/c19-13(6-4-12-5-7-14(20)17-16-12)15-8-3-11-18-9-1-2-10-18/h1-2,9-10H,3-8,11H2,(H,15,19)(H,17,20)
InChIKeyRKWAOCCOSBWOGG-UHFFFAOYSA-N
XLogP1.04
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide?
The IUPAC name of 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide (CID 131914341) is 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide is O=C(CCC1=NNC(=O)CC1)NCCCn1cccc1.
What is the InChIKey of 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide?
The InChIKey is RKWAOCCOSBWOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(6-4-12-5-7-14(20)17-16-12)15-8-3-11-18-9-1-2-10-18/h1-2,9-10H,3-8,11H2,(H,15,19)(H,17,20).
What are the key properties of 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide?
3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide is sourced from PubChem (CID 131914341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).