4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid

C15H21NO2 — CID 113297402

IUPAC4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2cncc(C)c2)C1
InChIInChI=1S/C15H21NO2/c1-3-11-4-5-13(15(17)18)14(7-11)12-6-10(2)8-16-9-12/h6,8-9,11,13-14H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyDTGARZAGUZEUCD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.38
Rot. Bonds3

About 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid

4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid (PubChem CID 113297402) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
PubChem CID113297402
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2cncc(C)c2)C1
InChIInChI=1S/C15H21NO2/c1-3-11-4-5-13(15(17)18)14(7-11)12-6-10(2)8-16-9-12/h6,8-9,11,13-14H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyDTGARZAGUZEUCD-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-3-pyridinyl)cyclopentane-1-carboxylic acid
CID 115375610
4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 115375614
4-ethyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81021300
4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 113297404
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
2-(4-tert-butylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013243
4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
CID 116546370
4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021302
2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81021216
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691
2-(2,6-difluoro-3-methylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 82828589
2-(2-chloro-5-fluorophenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 105396241

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid (CID 113297402) is 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(c2cncc(C)c2)C1.
What is the InChIKey of 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
The InChIKey is DTGARZAGUZEUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11-4-5-13(15(17)18)14(7-11)12-6-10(2)8-16-9-12/h6,8-9,11,13-14H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid?
4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113297402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).