3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one

C13H20N2O2 — CID 139425521

IUPAC3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one
SMILESCCNc1cccn([C@@H]2CCCC[C@@H]2O)c1=O
InChIInChI=1S/C13H20N2O2/c1-2-14-10-6-5-9-15(13(10)17)11-7-3-4-8-12(11)16/h5-6,9,11-12,14,16H,2-4,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyGWBKOCVKDHSAIM-NEPJUHHUSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds3

About 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one

3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one (PubChem CID 139425521) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one
PubChem CID139425521
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one
SMILESCCNc1cccn([C@@H]2CCCC[C@@H]2O)c1=O
InChIInChI=1S/C13H20N2O2/c1-2-14-10-6-5-9-15(13(10)17)11-7-3-4-8-12(11)16/h5-6,9,11-12,14,16H,2-4,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyGWBKOCVKDHSAIM-NEPJUHHUSA-N
XLogP1.76
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one (CID 139425521) is 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one is CCNc1cccn([C@@H]2CCCC[C@@H]2O)c1=O.
What is the InChIKey of 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one?
The InChIKey is GWBKOCVKDHSAIM-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-14-10-6-5-9-15(13(10)17)11-7-3-4-8-12(11)16/h5-6,9,11-12,14,16H,2-4,7-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one?
3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one is sourced from PubChem (CID 139425521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).