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

C17H22N4O3 — CID 51495017

IUPAC4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C17H22N4O3/c1-11-5-3-6-12(2)21(11)16(22)10-20-17(23)13(18)9-14(19-20)15-7-4-8-24-15/h4,7-9,11-12H,3,5-6,10,18H2,1-2H3/t11-,12-/m0/s1
InChIKeyNURCAHHJYKGOMV-RYUDHWBXSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds3

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

4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 51495017) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID51495017
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C17H22N4O3/c1-11-5-3-6-12(2)21(11)16(22)10-20-17(23)13(18)9-14(19-20)15-7-4-8-24-15/h4,7-9,11-12H,3,5-6,10,18H2,1-2H3/t11-,12-/m0/s1
InChIKeyNURCAHHJYKGOMV-RYUDHWBXSA-N
XLogP1.88
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 51496325
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51589118
(4aS,8aR)-4-[2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]-3,3-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one
CID 51592580
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 46960877
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961048
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 92571086
4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 51495033
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682037
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2350620

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one (CID 51495017) is 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one is C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccco2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is NURCAHHJYKGOMV-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-5-3-6-12(2)21(11)16(22)10-20-17(23)13(18)9-14(19-20)15-7-4-8-24-15/h4,7-9,11-12H,3,5-6,10,18H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one?
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 1.88, 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-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 51495017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).