3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one

C12H18N2O2 — CID 139425520

IUPAC3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCCNc1cccn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C12H18N2O2/c1-2-13-11-6-3-7-14(12(11)15)10-5-4-8-16-9-10/h3,6-7,10,13H,2,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyGFXVREQSUAMLNQ-JTQLQIEISA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds3

About 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one

3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (PubChem CID 139425520) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
PubChem CID139425520
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCCNc1cccn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C12H18N2O2/c1-2-13-11-6-3-7-14(12(11)15)10-5-4-8-16-9-10/h3,6-7,10,13H,2,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyGFXVREQSUAMLNQ-JTQLQIEISA-N
XLogP1.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (CID 139425520) is 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is CCNc1cccn([C@H]2CCCOC2)c1=O.
What is the InChIKey of 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The InChIKey is GFXVREQSUAMLNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-13-11-6-3-7-14(12(11)15)10-5-4-8-16-9-10/h3,6-7,10,13H,2,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 139425520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).