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

C20H23ClN2O2 — CID 4582945

IUPACN-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
InChIInChI=1S/C20H23ClN2O2/c1-2-3-11-22-19(24)13-23-18-10-6-8-15(18)16(12-20(23)25)14-7-4-5-9-17(14)21/h4-5,7,9,12H,2-3,6,8,10-11,13H2,1H3,(H,22,24)
InChIKeyUSWPGZWJWJRKNS-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.57
Rot. Bonds6

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

N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide (PubChem CID 4582945) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
PubChem CID4582945
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
InChIInChI=1S/C20H23ClN2O2/c1-2-3-11-22-19(24)13-23-18-10-6-8-15(18)16(12-20(23)25)14-7-4-5-9-17(14)21/h4-5,7,9,12H,2-3,6,8,10-11,13H2,1H3,(H,22,24)
InChIKeyUSWPGZWJWJRKNS-UHFFFAOYSA-N
XLogP3.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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 N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide (CID 4582945) is N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide is CCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2.
What is the InChIKey of N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
The InChIKey is USWPGZWJWJRKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-2-3-11-22-19(24)13-23-18-10-6-8-15(18)16(12-20(23)25)14-7-4-5-9-17(14)21/h4-5,7,9,12H,2-3,6,8,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide?
N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide is sourced from PubChem (CID 4582945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).