3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one

C10H13F2N3O2 — CID 156802913

IUPAC3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one
SMILESCNc1cc(OC2CNC2)c(=O)n(C(F)F)c1
InChIInChI=1S/C10H13F2N3O2/c1-13-6-2-8(17-7-3-14-4-7)9(16)15(5-6)10(11)12/h2,5,7,10,13-14H,3-4H2,1H3
InChIKeyDDVYHSOFOGEVDB-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.64
Rot. Bonds4

About 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one

3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one (PubChem CID 156802913) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one
PubChem CID156802913
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one
SMILESCNc1cc(OC2CNC2)c(=O)n(C(F)F)c1
InChIInChI=1S/C10H13F2N3O2/c1-13-6-2-8(17-7-3-14-4-7)9(16)15(5-6)10(11)12/h2,5,7,10,13-14H,3-4H2,1H3
InChIKeyDDVYHSOFOGEVDB-UHFFFAOYSA-N
XLogP0.64
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one?
The IUPAC name of 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one (CID 156802913) is 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one.
What is the SMILES notation for 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one?
The canonical SMILES for 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one is CNc1cc(OC2CNC2)c(=O)n(C(F)F)c1.
What is the InChIKey of 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one?
The InChIKey is DDVYHSOFOGEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-13-6-2-8(17-7-3-14-4-7)9(16)15(5-6)10(11)12/h2,5,7,10,13-14H,3-4H2,1H3.
What are the key properties of 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one?
3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one has a molecular weight of 245.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-1-(difluoromethyl)-5-(methylamino)pyridin-2-one is sourced from PubChem (CID 156802913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).