2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide

C21H25ClN2O2 — CID 4582333

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
InChIInChI=1S/C21H25ClN2O2/c1-14(2)10-11-23-20(25)13-24-19-9-5-7-16(19)17(12-21(24)26)15-6-3-4-8-18(15)22/h3-4,6,8,12,14H,5,7,9-11,13H2,1-2H3,(H,23,25)
InChIKeyVKPSDGQVZFPQMW-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 4582333) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID4582333
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
InChIInChI=1S/C21H25ClN2O2/c1-14(2)10-11-23-20(25)13-24-19-9-5-7-16(19)17(12-21(24)26)15-6-3-4-8-18(15)22/h3-4,6,8,12,14H,5,7,9-11,13H2,1-2H3,(H,23,25)
InChIKeyVKPSDGQVZFPQMW-UHFFFAOYSA-N
XLogP3.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3828707
CID 3828707
CID 24758173
CID 24758173
CID 24758743
CID 24758743
CID 24759740
CID 24759740
CID 166951493
CID 166951493
CID 166951497
CID 166951497
CID 454354
CID 454354
CID 486864
CID 486864
CID 486878
CID 486878
CID 486887
CID 486887
CID 4582956
CID 4582956
CID 6324576
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide (CID 4582333) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=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-(3-methylbutyl)acetamide?
The InChIKey is VKPSDGQVZFPQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-14(2)10-11-23-20(25)13-24-19-9-5-7-16(19)17(12-21(24)26)15-6-3-4-8-18(15)22/h3-4,6,8,12,14H,5,7,9-11,13H2,1-2H3,(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-(3-methylbutyl)acetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 372.90 g/mol, XLogP of 3.82, 6 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 4582333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).