2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C19H23FN2O3 — CID 144506976

IUPAC2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(CCO)cn1.NC(=O)C1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO.C9H13NO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13;1-2-12-9-4-3-8(5-6-11)7-10-9/h1-4,8-9H,5H2,(H2,12,13);3-4,7,11H,2,5-6H2,1H3/t8-,9?;/m1./s1
InChIKeyJJGKZJUYWXIPAE-URIXSHMWSA-N
MW346.40 g/mol
LogP2.43
Rot. Bonds6

About 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 144506976) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID144506976
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(CCO)cn1.NC(=O)C1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C10H10FNO.C9H13NO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13;1-2-12-9-4-3-8(5-6-11)7-10-9/h1-4,8-9H,5H2,(H2,12,13);3-4,7,11H,2,5-6H2,1H3/t8-,9?;/m1./s1
InChIKeyJJGKZJUYWXIPAE-URIXSHMWSA-N
XLogP2.43
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 144506976) is 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is CCOc1ccc(CCO)cn1.NC(=O)C1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JJGKZJUYWXIPAE-URIXSHMWSA-N. The full InChI is InChI=1S/C10H10FNO.C9H13NO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13;1-2-12-9-4-3-8(5-6-11)7-10-9/h1-4,8-9H,5H2,(H2,12,13);3-4,7,11H,2,5-6H2,1H3/t8-,9?;/m1./s1.
What are the key properties of 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-pyridinyl)ethanol;(2S)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 144506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).