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

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Related Compounds

N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)cyclopropanecarboxamide
CID 54587760
(1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(S)-1-(6-isopropoxy-pyridin-3-yl)-ethyl]-amide
CID 71201914
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 71201939
trans-(1S,2S)-N-[(1R)-1-(6-cyclobutyloxy-3-pyridinyl)-2-hydroxyethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71201953
3-[6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-fluoropropanoic acid
CID 90644296
3-[6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-2-methylpropanoic acid
CID 90644297
3-[6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-fluoropropanoic acid
CID 90644299
3-[6-[[3-(2,6-Dimethylphenyl)phenyl]methoxy]-3-pyridinyl]butanoic acid
CID 90644300
(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide
CID 118730012
[2-[2-Oxo-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]phenyl]boronic acid
CID 137647225
N-[2-(4-fluorophenyl)ethyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 155514713
3-(4-propoxyphenyl)-N'-[(E)-pyridin-4-ylmethylidene]propanehydrazide
CID 6883318

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).