2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

C16H23NO2 — CID 103450762

IUPAC2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2(O)CCC(C)CC2)nc1
InChIInChI=1S/C16H23NO2/c1-3-13-4-5-14(17-11-13)10-15(18)16(19)8-6-12(2)7-9-16/h4-5,11-12,19H,3,6-10H2,1-2H3
InChIKeyJVXGAEPYHVDEKN-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.70
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 103450762) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID103450762
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2(O)CCC(C)CC2)nc1
InChIInChI=1S/C16H23NO2/c1-3-13-4-5-14(17-11-13)10-15(18)16(19)8-6-12(2)7-9-16/h4-5,11-12,19H,3,6-10H2,1-2H3
InChIKeyJVXGAEPYHVDEKN-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)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-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 79740612
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
1-[(5-ethyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 79745461
1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116600244
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116611651
2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
CID 79745576
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 79745798

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 103450762) is 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is CCc1ccc(CC(=O)C2(O)CCC(C)CC2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is JVXGAEPYHVDEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-4-5-14(17-11-13)10-15(18)16(19)8-6-12(2)7-9-16/h4-5,11-12,19H,3,6-10H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone has a molecular weight of 261.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 103450762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).