3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one

C17H21F3N4O2 — CID 167076904

IUPAC3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one
SMILESCCn1ccc(CC(C)n2cccc(NCC(F)(F)F)c2=O)c(N)c1=O
InChIInChI=1S/C17H21F3N4O2/c1-3-23-8-6-12(14(21)16(23)26)9-11(2)24-7-4-5-13(15(24)25)22-10-17(18,19)20/h4-8,11,22H,3,9-10,21H2,1-2H3
InChIKeyZYGFEADKTSBLFO-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.39
Rot. Bonds6

About 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one

3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one (PubChem CID 167076904) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one
PubChem CID167076904
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one
SMILESCCn1ccc(CC(C)n2cccc(NCC(F)(F)F)c2=O)c(N)c1=O
InChIInChI=1S/C17H21F3N4O2/c1-3-23-8-6-12(14(21)16(23)26)9-11(2)24-7-4-5-13(15(24)25)22-10-17(18,19)20/h4-8,11,22H,3,9-10,21H2,1-2H3
InChIKeyZYGFEADKTSBLFO-UHFFFAOYSA-N
XLogP2.39
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one?
The IUPAC name of 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one (CID 167076904) is 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one is CCn1ccc(CC(C)n2cccc(NCC(F)(F)F)c2=O)c(N)c1=O.
What is the InChIKey of 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one?
The InChIKey is ZYGFEADKTSBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-3-23-8-6-12(14(21)16(23)26)9-11(2)24-7-4-5-13(15(24)25)22-10-17(18,19)20/h4-8,11,22H,3,9-10,21H2,1-2H3.
What are the key properties of 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one?
3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one has a molecular weight of 370.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-4-[2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propyl]pyridin-2-one is sourced from PubChem (CID 167076904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).