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

C19H26N4O3 — CID 46961833

IUPAC4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCCC1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O
InChIInChI=1S/C19H26N4O3/c1-4-14-7-5-6-8-22(14)18(24)11-23-19(25)16(20)10-17(21-23)15-9-12(2)26-13(15)3/h9-10,14H,4-8,11,20H2,1-3H3
InChIKeyLUVXQHNPQNWVIV-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.49
Rot. Bonds4

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

4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 46961833) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID46961833
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCCC1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O
InChIInChI=1S/C19H26N4O3/c1-4-14-7-5-6-8-22(14)18(24)11-23-19(25)16(20)10-17(21-23)15-9-12(2)26-13(15)3/h9-10,14H,4-8,11,20H2,1-3H3
InChIKeyLUVXQHNPQNWVIV-UHFFFAOYSA-N
XLogP2.49
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 46961833) is 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is CCC1CCCCN1C(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O.
What is the InChIKey of 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is LUVXQHNPQNWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-14-7-5-6-8-22(14)18(24)11-23-19(25)16(20)10-17(21-23)15-9-12(2)26-13(15)3/h9-10,14H,4-8,11,20H2,1-3H3.
What are the key properties of 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 358.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 46961833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).