2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide

C15H20N4O2 — CID 114396762

IUPAC2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C15H20N4O2/c1-3-6-16-14(20)11-19-15(21)9-13(10-17-19)18-7-4-12(2)5-8-18/h1,9-10,12H,4-8,11H2,2H3,(H,16,20)
InChIKeyCJXSLURAUOLOKS-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.23
Rot. Bonds4

About 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide

2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide (PubChem CID 114396762) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
PubChem CID114396762
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C15H20N4O2/c1-3-6-16-14(20)11-19-15(21)9-13(10-17-19)18-7-4-12(2)5-8-18/h1,9-10,12H,4-8,11H2,2H3,(H,16,20)
InChIKeyCJXSLURAUOLOKS-UHFFFAOYSA-N
XLogP0.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
CID 114396751
3-hydroxy-4-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394075
2-amino-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394073
2-(3-hydroxy-2-methylpropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114396617
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397711
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-methyl-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanethioamide
CID 114395835
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 45215332
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396759
2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107506454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide (CID 114396762) is 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1ncc(N2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
The InChIKey is CJXSLURAUOLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-16-14(20)11-19-15(21)9-13(10-17-19)18-7-4-12(2)5-8-18/h1,9-10,12H,4-8,11H2,2H3,(H,16,20).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide?
2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide has a molecular weight of 288.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 114396762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).