1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone

C14H19NO — CID 66448021

IUPAC1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)C1CCCCC1
InChIInChI=1S/C14H19NO/c1-11-6-5-9-15-13(11)10-14(16)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyJREGOAFXSUGNQS-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.08
Rot. Bonds3

About 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone

1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 66448021) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID66448021
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)C1CCCCC1
InChIInChI=1S/C14H19NO/c1-11-6-5-9-15-13(11)10-14(16)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyJREGOAFXSUGNQS-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 112651216
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
CID 107148643
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone (CID 66448021) is 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is JREGOAFXSUGNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-5-9-15-13(11)10-14(16)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone?
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66448021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).