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

C23H28ClN3O3 — CID 4582954

IUPAC2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCCN1CCOCC1
InChIInChI=1S/C23H28ClN3O3/c24-20-7-2-1-5-17(20)19-15-23(29)27(21-8-3-6-18(19)21)16-22(28)25-9-4-10-26-11-13-30-14-12-26/h1-2,5,7,15H,3-4,6,8-14,16H2,(H,25,28)
InChIKeyVXPFWXPXJBWROY-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.50
Rot. Bonds7

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

2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 4582954) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID4582954
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCCN1CCOCC1
InChIInChI=1S/C23H28ClN3O3/c24-20-7-2-1-5-17(20)19-15-23(29)27(21-8-3-6-18(19)21)16-22(28)25-9-4-10-26-11-13-30-14-12-26/h1-2,5,7,15H,3-4,6,8-14,16H2,(H,25,28)
InChIKeyVXPFWXPXJBWROY-UHFFFAOYSA-N
XLogP2.50
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(6-chloro-2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 6087869
3-chloro-4-{[3-(4-morpholinyl)propyl]amino}-1-(2-phenylethyl)-1H-pyrrole-2,5-dione
CID 1569654
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
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
N-butyl-2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetamide
CID 4582945
4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 5309247
3-(2-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]acrylamide
CID 871593
N'-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 1919454
2-[4-(2-chlorophenyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4582947
2-[4-(2-Chlorophenyl)-2-oxo-1H,2H,5H,6H,7H-cyclopenta[B]pyridin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 4582949

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-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 4582954) is 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCCN1CCOCC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is VXPFWXPXJBWROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c24-20-7-2-1-5-17(20)19-15-23(29)27(21-8-3-6-18(19)21)16-22(28)25-9-4-10-26-11-13-30-14-12-26/h1-2,5,7,15H,3-4,6,8-14,16H2,(H,25,28).
What are the key properties of 2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 429.95 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 4582954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).