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

C11H16N2O2 — CID 139373545

IUPAC3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cccn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-10-5-2-6-13(11(10)14)9-4-3-7-15-8-9/h2,5-6,9,12H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyVOHCZPBBHYVICA-VIFPVBQESA-N
MW208.26 g/mol
LogP1.24
Rot. Bonds2

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

3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (PubChem CID 139373545) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
PubChem CID139373545
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cccn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-10-5-2-6-13(11(10)14)9-4-3-7-15-8-9/h2,5-6,9,12H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyVOHCZPBBHYVICA-VIFPVBQESA-N
XLogP1.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383698
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137441431
1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158
5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 137449451
1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449098
N-[(2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450029
N-[(1R,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572507
1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457478
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
1-[(2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
CID 167308629
N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449804
3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 129494172

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (CID 139373545) is 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is CNc1cccn([C@H]2CCCOC2)c1=O.
What is the InChIKey of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The InChIKey is VOHCZPBBHYVICA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-10-5-2-6-13(11(10)14)9-4-3-7-15-8-9/h2,5-6,9,12H,3-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 139373545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).