5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one

C11H16F3N3O — CID 55006694

IUPAC5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
SMILESCCN(CCn1cc(N)ccc1=O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-2-16(8-11(12,13)14)5-6-17-7-9(15)3-4-10(17)18/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyDZKAEKUGNXTZLB-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.31
Rot. Bonds5

About 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one (PubChem CID 55006694) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
PubChem CID55006694
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
SMILESCCN(CCn1cc(N)ccc1=O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-2-16(8-11(12,13)14)5-6-17-7-9(15)3-4-10(17)18/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyDZKAEKUGNXTZLB-UHFFFAOYSA-N
XLogP1.31
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one (CID 55006694) is 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one is CCN(CCn1cc(N)ccc1=O)CC(F)(F)F.
What is the InChIKey of 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The InChIKey is DZKAEKUGNXTZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-16(8-11(12,13)14)5-6-17-7-9(15)3-4-10(17)18/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one has a molecular weight of 263.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 55006694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).