N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C16H23N3O2 — CID 75465719

IUPACN-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCCC1
InChIInChI=1S/C16H23N3O2/c20-15(17-13-7-4-5-8-13)11-19-16(21)10-12-6-2-1-3-9-14(12)18-19/h10,13H,1-9,11H2,(H,17,20)
InChIKeyAEYSUUMSIWVBLG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.57
Rot. Bonds3

About N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75465719) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID75465719
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCCC1
InChIInChI=1S/C16H23N3O2/c20-15(17-13-7-4-5-8-13)11-19-16(21)10-12-6-2-1-3-9-14(12)18-19/h10,13H,1-9,11H2,(H,17,20)
InChIKeyAEYSUUMSIWVBLG-UHFFFAOYSA-N
XLogP1.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75465719) is N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is AEYSUUMSIWVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(17-13-7-4-5-8-13)11-19-16(21)10-12-6-2-1-3-9-14(12)18-19/h10,13H,1-9,11H2,(H,17,20).
What are the key properties of N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75465719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).