3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide

C17H22N4O2 — CID 42143625

IUPAC3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide
SMILESCC(C)CC(=O)NCCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C17H22N4O2/c1-13(2)11-16(22)19-9-4-10-21-17(23)7-6-15(20-21)14-5-3-8-18-12-14/h3,5-8,12-13H,4,9-11H2,1-2H3,(H,19,22)
InChIKeyBBXJISFGOXSYKV-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds7

About 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide

3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide (PubChem CID 42143625) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide
PubChem CID42143625
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide
SMILESCC(C)CC(=O)NCCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C17H22N4O2/c1-13(2)11-16(22)19-9-4-10-21-17(23)7-6-15(20-21)14-5-3-8-18-12-14/h3,5-8,12-13H,4,9-11H2,1-2H3,(H,19,22)
InChIKeyBBXJISFGOXSYKV-UHFFFAOYSA-N
XLogP1.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide?
The IUPAC name of 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide (CID 42143625) is 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide is CC(C)CC(=O)NCCCn1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide?
The InChIKey is BBXJISFGOXSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(2)11-16(22)19-9-4-10-21-17(23)7-6-15(20-21)14-5-3-8-18-12-14/h3,5-8,12-13H,4,9-11H2,1-2H3,(H,19,22).
What are the key properties of 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide?
3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]butanamide is sourced from PubChem (CID 42143625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).