N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C21H25FN2O3 — CID 100769840

IUPACN-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1
InChIInChI=1S/C21H25FN2O3/c1-2-26-13-14-27-19-10-9-18(15-23-19)24-20(25)21(11-3-4-12-21)16-5-7-17(22)8-6-16/h5-10,15H,2-4,11-14H2,1H3,(H,24,25)
InChIKeyFFOBAODBYKOFOY-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.09
Rot. Bonds8

About N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100769840) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100769840
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1
InChIInChI=1S/C21H25FN2O3/c1-2-26-13-14-27-19-10-9-18(15-23-19)24-20(25)21(11-3-4-12-21)16-5-7-17(22)8-6-16/h5-10,15H,2-4,11-14H2,1H3,(H,24,25)
InChIKeyFFOBAODBYKOFOY-UHFFFAOYSA-N
XLogP4.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 100769840) is N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is FFOBAODBYKOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-2-26-13-14-27-19-10-9-18(15-23-19)24-20(25)21(11-3-4-12-21)16-5-7-17(22)8-6-16/h5-10,15H,2-4,11-14H2,1H3,(H,24,25).
What are the key properties of N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100769840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).