N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide

C15H23FN4O2 — CID 144993342

IUPACN-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide
SMILESNCC(F)CCn1ncc(NC(=O)CC2CCCC2)cc1=O
InChIInChI=1S/C15H23FN4O2/c16-12(9-17)5-6-20-15(22)8-13(10-18-20)19-14(21)7-11-3-1-2-4-11/h8,10-12H,1-7,9,17H2,(H,19,21)
InChIKeyOHRGKYLNIRAIDE-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.45
Rot. Bonds7

About N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide

N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide (PubChem CID 144993342) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide
PubChem CID144993342
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC NameN-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide
SMILESNCC(F)CCn1ncc(NC(=O)CC2CCCC2)cc1=O
InChIInChI=1S/C15H23FN4O2/c16-12(9-17)5-6-20-15(22)8-13(10-18-20)19-14(21)7-11-3-1-2-4-11/h8,10-12H,1-7,9,17H2,(H,19,21)
InChIKeyOHRGKYLNIRAIDE-UHFFFAOYSA-N
XLogP1.45
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide (CID 144993342) is N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide is NCC(F)CCn1ncc(NC(=O)CC2CCCC2)cc1=O.
What is the InChIKey of N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide?
The InChIKey is OHRGKYLNIRAIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c16-12(9-17)5-6-20-15(22)8-13(10-18-20)19-14(21)7-11-3-1-2-4-11/h8,10-12H,1-7,9,17H2,(H,19,21).
What are the key properties of N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide?
N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide has a molecular weight of 310.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 144993342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).