5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one

C12H18F3N3O — CID 55006739

IUPAC5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one
SMILESCCN(CCCn1cc(N)ccc1=O)CC(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-2-17(9-12(13,14)15)6-3-7-18-8-10(16)4-5-11(18)19/h4-5,8H,2-3,6-7,9,16H2,1H3
InChIKeyQZXQCNWCKNBGLB-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.70
Rot. Bonds6

About 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one

5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one (PubChem CID 55006739) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one
PubChem CID55006739
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one
SMILESCCN(CCCn1cc(N)ccc1=O)CC(F)(F)F
InChIInChI=1S/C12H18F3N3O/c1-2-17(9-12(13,14)15)6-3-7-18-8-10(16)4-5-11(18)19/h4-5,8H,2-3,6-7,9,16H2,1H3
InChIKeyQZXQCNWCKNBGLB-UHFFFAOYSA-N
XLogP1.70
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one (CID 55006739) is 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one is CCN(CCCn1cc(N)ccc1=O)CC(F)(F)F.
What is the InChIKey of 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one?
The InChIKey is QZXQCNWCKNBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-17(9-12(13,14)15)6-3-7-18-8-10(16)4-5-11(18)19/h4-5,8H,2-3,6-7,9,16H2,1H3.
What are the key properties of 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one?
5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one has a molecular weight of 277.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one is sourced from PubChem (CID 55006739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).