4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one

C18H24N4O3 — CID 16676621

IUPAC4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
SMILESCCC1CCCCN1C(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O
InChIInChI=1S/C18H24N4O3/c1-3-13-6-4-5-9-21(13)17(23)11-22-18(24)14(19)10-15(20-22)16-8-7-12(2)25-16/h7-8,10,13H,3-6,9,11,19H2,1-2H3
InChIKeyQJAGQLIAVYPXAJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one

4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one (PubChem CID 16676621) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
PubChem CID16676621
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
SMILESCCC1CCCCN1C(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O
InChIInChI=1S/C18H24N4O3/c1-3-13-6-4-5-9-21(13)17(23)11-22-18(24)14(19)10-15(20-22)16-8-7-12(2)25-16/h7-8,10,13H,3-6,9,11,19H2,1-2H3
InChIKeyQJAGQLIAVYPXAJ-UHFFFAOYSA-N
XLogP2.19
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one (CID 16676621) is 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one is CCC1CCCCN1C(=O)Cn1nc(-c2ccc(C)o2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?
The InChIKey is QJAGQLIAVYPXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-13-6-4-5-9-21(13)17(23)11-22-18(24)14(19)10-15(20-22)16-8-7-12(2)25-16/h7-8,10,13H,3-6,9,11,19H2,1-2H3.
What are the key properties of 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one?
4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one has a molecular weight of 344.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one is sourced from PubChem (CID 16676621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).