2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide

C21H23ClN2O2 — CID 20968910

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC1CCCC1
InChIInChI=1S/C21H23ClN2O2/c22-18-10-4-3-8-15(18)17-12-21(26)24(19-11-5-9-16(17)19)13-20(25)23-14-6-1-2-7-14/h3-4,8,10,12,14H,1-2,5-7,9,11,13H2,(H,23,25)
InChIKeyWKJUCXWLJFRWKA-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.72
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide (PubChem CID 20968910) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide
PubChem CID20968910
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC1CCCC1
InChIInChI=1S/C21H23ClN2O2/c22-18-10-4-3-8-15(18)17-12-21(26)24(19-11-5-9-16(17)19)13-20(25)23-14-6-1-2-7-14/h3-4,8,10,12,14H,1-2,5-7,9,11,13H2,(H,23,25)
InChIKeyWKJUCXWLJFRWKA-UHFFFAOYSA-N
XLogP3.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide (CID 20968910) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC1CCCC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide?
The InChIKey is WKJUCXWLJFRWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-10-4-3-8-15(18)17-12-21(26)24(19-11-5-9-16(17)19)13-20(25)23-14-6-1-2-7-14/h3-4,8,10,12,14H,1-2,5-7,9,11,13H2,(H,23,25).
What are the key properties of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide has a molecular weight of 370.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 20968910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).