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

C21H23ClN2O3 — CID 4582947

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCC1CCCO1
InChIInChI=1S/C21H23ClN2O3/c22-18-8-2-1-6-15(18)17-11-21(26)24(19-9-3-7-16(17)19)13-20(25)23-12-14-5-4-10-27-14/h1-2,6,8,11,14H,3-5,7,9-10,12-13H2,(H,23,25)
InChIKeyMPPQEMLEOIQCNA-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.95
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4582947) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4582947
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCC1CCCO1
InChIInChI=1S/C21H23ClN2O3/c22-18-8-2-1-6-15(18)17-11-21(26)24(19-9-3-7-16(17)19)13-20(25)23-12-14-5-4-10-27-14/h1-2,6,8,11,14H,3-5,7,9-10,12-13H2,(H,23,25)
InChIKeyMPPQEMLEOIQCNA-UHFFFAOYSA-N
XLogP2.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

3-chloro-1-(2-phenylethyl)-4-[(tetrahydro-2-furanylmethyl)amino]-1H-pyrrole-2,5-dione
CID 2939610
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-methylbutyl)acetamide
CID 4582333
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 5309133
N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
CID 4582945
2-[4-(2-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4582954
3-(2-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)acrylamide
CID 5340098
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-cyclopropylacetamide
CID 4582331
2-[4-(2-Chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[B]pyridin-1-YL]-N-(2-phenylethyl)acetamide
CID 4582337
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-propylacetamide
CID 6624508
2-[4-(2-Chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[B]pyridin-1-YL]-N-cyclopentylacetamide
CID 20968910
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95318673
N1-(2-chlorobenzyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 3149549

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-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 4582947) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCC1CCCO1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is MPPQEMLEOIQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-8-2-1-6-15(18)17-11-21(26)24(19-9-3-7-16(17)19)13-20(25)23-12-14-5-4-10-27-14/h1-2,6,8,11,14H,3-5,7,9-10,12-13H2,(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-(oxolan-2-ylmethyl)acetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 386.88 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4582947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).