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

C19H21ClN2O2 — CID 6624508

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
InChIInChI=1S/C19H21ClN2O2/c1-2-10-21-18(23)12-22-17-9-5-7-14(17)15(11-19(22)24)13-6-3-4-8-16(13)20/h3-4,6,8,11H,2,5,7,9-10,12H2,1H3,(H,21,23)
InChIKeyWIDUIHIFGVLTDA-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.18
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide (PubChem CID 6624508) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide
PubChem CID6624508
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
InChIInChI=1S/C19H21ClN2O2/c1-2-10-21-18(23)12-22-17-9-5-7-14(17)15(11-19(22)24)13-6-3-4-8-16(13)20/h3-4,6,8,11H,2,5,7,9-10,12H2,1H3,(H,21,23)
InChIKeyWIDUIHIFGVLTDA-UHFFFAOYSA-N
XLogP3.18
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxamide
CID 89489635
5-[2-(3-Chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951493
5-[2-(4-Chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951497
2(1H)-Pyridinone, 3-(((2-chlorophenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454354
4-[(3-chlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486864
4-[(4-chlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486878
4-[(2-chlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486887
4-[(3,5-dichlorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 487007
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
CID 4582333
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 4582956
4-(2-Chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 6324576

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-propylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide (CID 6624508) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide?
The InChIKey is WIDUIHIFGVLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-10-21-18(23)12-22-17-9-5-7-14(17)15(11-19(22)24)13-6-3-4-8-16(13)20/h3-4,6,8,11H,2,5,7,9-10,12H2,1H3,(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-propylacetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide has a molecular weight of 344.84 g/mol, XLogP of 3.18, 5 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-propylacetamide is sourced from PubChem (CID 6624508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).