N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

C13H20N4O3 — CID 63253383

IUPACN-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C13H20N4O3/c1-20-6-2-4-15-12(18)9-17-13(19)7-10-8-14-5-3-11(10)16-17/h7,14H,2-6,8-9H2,1H3,(H,15,18)
InChIKeyQWZWOAPEJOBCQS-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.96
Rot. Bonds6

About N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (PubChem CID 63253383) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
PubChem CID63253383
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C13H20N4O3/c1-20-6-2-4-15-12(18)9-17-13(19)7-10-8-14-5-3-11(10)16-17/h7,14H,2-6,8-9H2,1H3,(H,15,18)
InChIKeyQWZWOAPEJOBCQS-UHFFFAOYSA-N
XLogP-0.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.96
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 N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (CID 63253383) is N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is COCCCNC(=O)Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The InChIKey is QWZWOAPEJOBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-20-6-2-4-15-12(18)9-17-13(19)7-10-8-14-5-3-11(10)16-17/h7,14H,2-6,8-9H2,1H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 63253383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).