1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone

C15H22N2O2 — CID 83119849

IUPAC1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(CCO)C2CCCCC2)cn1
InChIInChI=1S/C15H22N2O2/c1-12(19)15-8-7-14(11-16-15)17(9-10-18)13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10H2,1H3
InChIKeyPLZVMFQXWYEXMJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.42
Rot. Bonds5

About 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone

1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone (PubChem CID 83119849) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
PubChem CID83119849
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(CCO)C2CCCCC2)cn1
InChIInChI=1S/C15H22N2O2/c1-12(19)15-8-7-14(11-16-15)17(9-10-18)13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10H2,1H3
InChIKeyPLZVMFQXWYEXMJ-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
CID 62543247
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 55132262
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone (CID 83119849) is 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone is CC(=O)c1ccc(N(CCO)C2CCCCC2)cn1.
What is the InChIKey of 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone?
The InChIKey is PLZVMFQXWYEXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(19)15-8-7-14(11-16-15)17(9-10-18)13-5-3-2-4-6-13/h7-8,11,13,18H,2-6,9-10H2,1H3.
What are the key properties of 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone?
1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).