2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide

C12H18N4O2 — CID 56885798

IUPAC2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
SMILESCC(C(N)=O)n1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H18N4O2/c1-9(12(13)18)16-11(17)7-10(8-14-16)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H2,13,18)
InChIKeyNXWSPRRVVMTXQL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.28
Rot. Bonds3

About 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide

2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide (PubChem CID 56885798) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
PubChem CID56885798
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
SMILESCC(C(N)=O)n1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H18N4O2/c1-9(12(13)18)16-11(17)7-10(8-14-16)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H2,13,18)
InChIKeyNXWSPRRVVMTXQL-UHFFFAOYSA-N
XLogP0.28
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72838958
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methylbutanamide
CID 91924046
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
N-[1-(1-ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]-2,2-dimethylpropanamide
CID 91924064
2-methyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876539
2,2-dimethyl-N-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876541

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide?
The IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide (CID 56885798) is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide?
The canonical SMILES for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide is CC(C(N)=O)n1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide?
The InChIKey is NXWSPRRVVMTXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(12(13)18)16-11(17)7-10(8-14-16)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H2,13,18).
What are the key properties of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide?
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 56885798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).