3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one

C13H18N2O2 — CID 157041777

IUPAC3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
SMILESNc1cc(C2CC2)cn(C2CCOCC2)c1=O
InChIInChI=1S/C13H18N2O2/c14-12-7-10(9-1-2-9)8-15(13(12)16)11-3-5-17-6-4-11/h7-9,11H,1-6,14H2
InChIKeySVWWQSGWWXLNMH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.66
Rot. Bonds2

About 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one

3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one (PubChem CID 157041777) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
PubChem CID157041777
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
SMILESNc1cc(C2CC2)cn(C2CCOCC2)c1=O
InChIInChI=1S/C13H18N2O2/c14-12-7-10(9-1-2-9)8-15(13(12)16)11-3-5-17-6-4-11/h7-9,11H,1-6,14H2
InChIKeySVWWQSGWWXLNMH-UHFFFAOYSA-N
XLogP1.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one (CID 157041777) is 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one is Nc1cc(C2CC2)cn(C2CCOCC2)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
The InChIKey is SVWWQSGWWXLNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-7-10(9-1-2-9)8-15(13(12)16)11-3-5-17-6-4-11/h7-9,11H,1-6,14H2.
What are the key properties of 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one is sourced from PubChem (CID 157041777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).