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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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).