2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one

C13H20N4O — CID 113408677

IUPAC2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)nn1
InChIInChI=1S/C13H20N4O/c1-10-6-7-12(16-15-10)14-11(2)13(18)17-8-4-3-5-9-17/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyDOUIYNIXHBFRKN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds3

About 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113408677) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID113408677
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)nn1
InChIInChI=1S/C13H20N4O/c1-10-6-7-12(16-15-10)14-11(2)13(18)17-8-4-3-5-9-17/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeyDOUIYNIXHBFRKN-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114046627
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 115643799
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113350190
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 113408677) is 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one is Cc1ccc(NC(C)C(=O)N2CCCCC2)nn1.
What is the InChIKey of 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DOUIYNIXHBFRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-6-7-12(16-15-10)14-11(2)13(18)17-8-4-3-5-9-17/h6-7,11H,3-5,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113408677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).