N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

C18H19FN2O2 — CID 3457600

IUPACN,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCCN(CC)C(=O)C(=Cc1ccccc1F)n1ccccc1=O
InChIInChI=1S/C18H19FN2O2/c1-3-20(4-2)18(23)16(21-12-8-7-11-17(21)22)13-14-9-5-6-10-15(14)19/h5-13H,3-4H2,1-2H3
InChIKeySILZYHOKBKEZNS-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.85
Rot. Bonds5

About N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (PubChem CID 3457600) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
PubChem CID3457600
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCCN(CC)C(=O)C(=Cc1ccccc1F)n1ccccc1=O
InChIInChI=1S/C18H19FN2O2/c1-3-20(4-2)18(23)16(21-12-8-7-11-17(21)22)13-14-9-5-6-10-15(14)19/h5-13H,3-4H2,1-2H3
InChIKeySILZYHOKBKEZNS-UHFFFAOYSA-N
XLogP2.85
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The IUPAC name of N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (CID 3457600) is N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.
What is the SMILES notation for N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The canonical SMILES for N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is CCN(CC)C(=O)C(=Cc1ccccc1F)n1ccccc1=O.
What is the InChIKey of N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The InChIKey is SILZYHOKBKEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-20(4-2)18(23)16(21-12-8-7-11-17(21)22)13-14-9-5-6-10-15(14)19/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide has a molecular weight of 314.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is sourced from PubChem (CID 3457600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).