2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

C13H20N4O2 — CID 110876539

IUPAC2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(2)13(19)15-10-3-5-17(6-4-10)11-7-12(18)16-14-8-11/h7-10H,3-6H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyBBTPUEUURDKBTE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.51
Rot. Bonds3

About 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide

2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 110876539) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID110876539
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(2)13(19)15-10-3-5-17(6-4-10)11-7-12(18)16-14-8-11/h7-10H,3-6H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyBBTPUEUURDKBTE-UHFFFAOYSA-N
XLogP0.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide (CID 110876539) is 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is BBTPUEUURDKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)13(19)15-10-3-5-17(6-4-10)11-7-12(18)16-14-8-11/h7-10H,3-6H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110876539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).