2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one

C17H13F3N2O2 — CID 134809491

IUPAC2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one
SMILESCN(C)c1cc(=O)c2ccnc(-c3cccc(C(F)(F)F)c3)c2o1
InChIInChI=1S/C17H13F3N2O2/c1-22(2)14-9-13(23)12-6-7-21-15(16(12)24-14)10-4-3-5-11(8-10)17(18,19)20/h3-9H,1-2H3
InChIKeyCPDYDZWTAZDFAD-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.94
Rot. Bonds2

About 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one

2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one (PubChem CID 134809491) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one
PubChem CID134809491
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one
SMILESCN(C)c1cc(=O)c2ccnc(-c3cccc(C(F)(F)F)c3)c2o1
InChIInChI=1S/C17H13F3N2O2/c1-22(2)14-9-13(23)12-6-7-21-15(16(12)24-14)10-4-3-5-11(8-10)17(18,19)20/h3-9H,1-2H3
InChIKeyCPDYDZWTAZDFAD-UHFFFAOYSA-N
XLogP3.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one (CID 134809491) is 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one is CN(C)c1cc(=O)c2ccnc(-c3cccc(C(F)(F)F)c3)c2o1.
What is the InChIKey of 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one?
The InChIKey is CPDYDZWTAZDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-22(2)14-9-13(23)12-6-7-21-15(16(12)24-14)10-4-3-5-11(8-10)17(18,19)20/h3-9H,1-2H3.
What are the key properties of 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one?
2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one has a molecular weight of 334.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134809491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).