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

C17H18ClN3O2 — CID 5072304

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18ClN3O2/c18-13-7-5-12(6-8-13)15-9-10-17(23)21(20-15)11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22)
InChIKeyFPYCZWFNCWZWHV-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.62
Rot. Bonds4

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

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (PubChem CID 5072304) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
PubChem CID5072304
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18ClN3O2/c18-13-7-5-12(6-8-13)15-9-10-17(23)21(20-15)11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22)
InChIKeyFPYCZWFNCWZWHV-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (CID 5072304) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCC1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is FPYCZWFNCWZWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-7-5-12(6-8-13)15-9-10-17(23)21(20-15)11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 331.80 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 5072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).