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

C19H19ClN2O2 — CID 4582331

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC1CC1
InChIInChI=1S/C19H19ClN2O2/c20-16-6-2-1-4-13(16)15-10-19(24)22(17-7-3-5-14(15)17)11-18(23)21-12-8-9-12/h1-2,4,6,10,12H,3,5,7-9,11H2,(H,21,23)
InChIKeyAXZMSZHMEDCNDW-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.94
Rot. Bonds4

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

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide (PubChem CID 4582331) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide
PubChem CID4582331
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC1CC1
InChIInChI=1S/C19H19ClN2O2/c20-16-6-2-1-4-13(16)15-10-19(24)22(17-7-3-5-14(15)17)11-18(23)21-12-8-9-12/h1-2,4,6,10,12H,3,5,7-9,11H2,(H,21,23)
InChIKeyAXZMSZHMEDCNDW-UHFFFAOYSA-N
XLogP2.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.94
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-cyclopropylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide (CID 4582331) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NC1CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide?
The InChIKey is AXZMSZHMEDCNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-6-2-1-4-13(16)15-10-19(24)22(17-7-3-5-14(15)17)11-18(23)21-12-8-9-12/h1-2,4,6,10,12H,3,5,7-9,11H2,(H,21,23).
What are the key properties of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide has a molecular weight of 342.83 g/mol, XLogP of 2.94, 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-cyclopropylacetamide is sourced from PubChem (CID 4582331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).