2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide

C17H23N5OS — CID 56778184

IUPAC2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNCC1CCCN1c1cccnn1)NCCc1cccs1
InChIInChI=1S/C17H23N5OS/c23-17(19-9-7-15-5-3-11-24-15)13-18-12-14-4-2-10-22(14)16-6-1-8-20-21-16/h1,3,5-6,8,11,14,18H,2,4,7,9-10,12-13H2,(H,19,23)
InChIKeyIENXLHLQHPTKBY-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.46
Rot. Bonds8

About 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide

2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 56778184) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID56778184
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNCC1CCCN1c1cccnn1)NCCc1cccs1
InChIInChI=1S/C17H23N5OS/c23-17(19-9-7-15-5-3-11-24-15)13-18-12-14-4-2-10-22(14)16-6-1-8-20-21-16/h1,3,5-6,8,11,14,18H,2,4,7,9-10,12-13H2,(H,19,23)
InChIKeyIENXLHLQHPTKBY-UHFFFAOYSA-N
XLogP1.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide (CID 56778184) is 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CNCC1CCCN1c1cccnn1)NCCc1cccs1.
What is the InChIKey of 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is IENXLHLQHPTKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-17(19-9-7-15-5-3-11-24-15)13-18-12-14-4-2-10-22(14)16-6-1-8-20-21-16/h1,3,5-6,8,11,14,18H,2,4,7,9-10,12-13H2,(H,19,23).
What are the key properties of 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 56778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).