2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one

C17H22N4O — CID 72921157

IUPAC2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCc1cccc(CCn2ncc(N3CCCCC3)cc2=O)n1
InChIInChI=1S/C17H22N4O/c1-14-6-5-7-15(19-14)8-11-21-17(22)12-16(13-18-21)20-9-3-2-4-10-20/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyJUWICOXVCRPILJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds4

About 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 72921157) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID72921157
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCc1cccc(CCn2ncc(N3CCCCC3)cc2=O)n1
InChIInChI=1S/C17H22N4O/c1-14-6-5-7-15(19-14)8-11-21-17(22)12-16(13-18-21)20-9-3-2-4-10-20/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyJUWICOXVCRPILJ-UHFFFAOYSA-N
XLogP2.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72871498
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114393541
1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 171907754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one (CID 72921157) is 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one is Cc1cccc(CCn2ncc(N3CCCCC3)cc2=O)n1.
What is the InChIKey of 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is JUWICOXVCRPILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-6-5-7-15(19-14)8-11-21-17(22)12-16(13-18-21)20-9-3-2-4-10-20/h5-7,12-13H,2-4,8-11H2,1H3.
What are the key properties of 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72921157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).