4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C18H24N4O2S — CID 51496325

IUPAC4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)s1
InChIInChI=1S/C18H24N4O2S/c1-11-5-4-6-12(2)22(11)17(23)10-21-18(24)14(19)9-15(20-21)16-8-7-13(3)25-16/h7-9,11-12H,4-6,10,19H2,1-3H3/t11-,12+
InChIKeyZHAWRGUHIQYQLJ-TXEJJXNPSA-N
MW360.48 g/mol
LogP2.65
Rot. Bonds3

About 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 51496325) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID51496325
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)s1
InChIInChI=1S/C18H24N4O2S/c1-11-5-4-6-12(2)22(11)17(23)10-21-18(24)14(19)9-15(20-21)16-8-7-13(3)25-16/h7-9,11-12H,4-6,10,19H2,1-3H3/t11-,12+
InChIKeyZHAWRGUHIQYQLJ-TXEJJXNPSA-N
XLogP2.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 51495017
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51586148
4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 51495033
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46961356
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 46961366
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676603
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
4-amino-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 46961371
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 51496325) is 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)s1.
What is the InChIKey of 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is ZHAWRGUHIQYQLJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11-5-4-6-12(2)22(11)17(23)10-21-18(24)14(19)9-15(20-21)16-8-7-13(3)25-16/h7-9,11-12H,4-6,10,19H2,1-3H3/t11-,12+.
What are the key properties of 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 360.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 51496325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).