1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one

C13H20N2O2 — CID 139383698

IUPAC1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCCOC2)c1=O
InChIInChI=1S/C13H20N2O2/c1-10(2)14-12-6-3-7-15(13(12)16)11-5-4-8-17-9-11/h3,6-7,10-11,14H,4-5,8-9H2,1-2H3
InChIKeyYAVUZDCDRRIDHW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.02
Rot. Bonds3

About 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one

1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 139383698) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID139383698
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCCOC2)c1=O
InChIInChI=1S/C13H20N2O2/c1-10(2)14-12-6-3-7-15(13(12)16)11-5-4-8-17-9-11/h3,6-7,10-11,14H,4-5,8-9H2,1-2H3
InChIKeyYAVUZDCDRRIDHW-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 139383698) is 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2CCCOC2)c1=O.
What is the InChIKey of 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is YAVUZDCDRRIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)14-12-6-3-7-15(13(12)16)11-5-4-8-17-9-11/h3,6-7,10-11,14H,4-5,8-9H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 139383698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).