3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide

C16H20N4O2 — CID 42142490

IUPAC3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C16H20N4O2/c1-12(2)10-15(21)18-8-9-20-16(22)6-5-14(19-20)13-4-3-7-17-11-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)
InChIKeyHKUPYNJRSSYCDA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.47
Rot. Bonds6

About 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide

3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide (PubChem CID 42142490) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide
PubChem CID42142490
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C16H20N4O2/c1-12(2)10-15(21)18-8-9-20-16(22)6-5-14(19-20)13-4-3-7-17-11-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)
InChIKeyHKUPYNJRSSYCDA-UHFFFAOYSA-N
XLogP1.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide 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 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide (CID 42142490) is 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide is CC(C)CC(=O)NCCn1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide?
The InChIKey is HKUPYNJRSSYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(2)10-15(21)18-8-9-20-16(22)6-5-14(19-20)13-4-3-7-17-11-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide?
3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide has a molecular weight of 300.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 42142490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).