2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H20N2O2 — CID 72907366

IUPAC2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1CCOCc1ccccc1)CCC2
InChIInChI=1S/C18H20N2O2/c19-18(21)15-11-14-7-4-8-16(14)20-17(15)9-10-22-12-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,12H2,(H2,19,21)
InChIKeyBGTASQSPOIULQI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72907366) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72907366
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1CCOCc1ccccc1)CCC2
InChIInChI=1S/C18H20N2O2/c19-18(21)15-11-14-7-4-8-16(14)20-17(15)9-10-22-12-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,12H2,(H2,19,21)
InChIKeyBGTASQSPOIULQI-UHFFFAOYSA-N
XLogP2.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72907366) is 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cc2c(nc1CCOCc1ccccc1)CCC2.
What is the InChIKey of 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is BGTASQSPOIULQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-18(21)15-11-14-7-4-8-16(14)20-17(15)9-10-22-12-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,12H2,(H2,19,21).
What are the key properties of 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72907366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).