2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide

C16H20N4O2 — CID 42143979

IUPAC2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide
SMILESCC(C)C(=O)NCCCn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C16H20N4O2/c1-12(2)16(22)18-8-3-11-20-15(21)5-4-14(19-20)13-6-9-17-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,18,22)
InChIKeyGMOWCGKAGSZWHI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.47
Rot. Bonds6

About 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide

2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide (PubChem CID 42143979) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide
PubChem CID42143979
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide
SMILESCC(C)C(=O)NCCCn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C16H20N4O2/c1-12(2)16(22)18-8-3-11-20-15(21)5-4-14(19-20)13-6-9-17-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,18,22)
InChIKeyGMOWCGKAGSZWHI-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

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-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide (CID 42143979) is 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide is CC(C)C(=O)NCCCn1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide?
The InChIKey is GMOWCGKAGSZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(2)16(22)18-8-3-11-20-15(21)5-4-14(19-20)13-6-9-17-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,18,22).
What are the key properties of 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide?
2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide 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 2-methyl-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]propanamide is sourced from PubChem (CID 42143979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).