6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

C13H9F3N4O — CID 25097797

IUPAC6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NCC(F)(F)F)c3ccncc3c12
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)6-19-11-7-1-3-17-5-8(7)10-9(20-11)2-4-18-12(10)21/h1-5H,6H2,(H,18,21)(H,19,20)
InChIKeyFVEDKTZRULIYGR-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.45
Rot. Bonds2

About 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (PubChem CID 25097797) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
PubChem CID25097797
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NCC(F)(F)F)c3ccncc3c12
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)6-19-11-7-1-3-17-5-8(7)10-9(20-11)2-4-18-12(10)21/h1-5H,6H2,(H,18,21)(H,19,20)
InChIKeyFVEDKTZRULIYGR-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (CID 25097797) is 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(NCC(F)(F)F)c3ccncc3c12.
What is the InChIKey of 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The InChIKey is FVEDKTZRULIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)6-19-11-7-1-3-17-5-8(7)10-9(20-11)2-4-18-12(10)21/h1-5H,6H2,(H,18,21)(H,19,20).
What are the key properties of 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one has a molecular weight of 294.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25097797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).