(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

C19H19FN2O3 — CID 25246749

IUPAC(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESO=C(NCC1CCCO1)/C(=C\c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C19H19FN2O3/c20-15-8-6-14(7-9-15)12-17(22-10-2-1-5-18(22)23)19(24)21-13-16-4-3-11-25-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,21,24)/b17-12+
InChIKeyXUZKXHAUGDIDQS-SFQUDFHCSA-N
MW342.37 g/mol
LogP2.28
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (PubChem CID 25246749) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
PubChem CID25246749
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESO=C(NCC1CCCO1)/C(=C\c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C19H19FN2O3/c20-15-8-6-14(7-9-15)12-17(22-10-2-1-5-18(22)23)19(24)21-13-16-4-3-11-25-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,21,24)/b17-12+
InChIKeyXUZKXHAUGDIDQS-SFQUDFHCSA-N
XLogP2.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 6488633
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3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 651329
3-chloro-1-(2-phenylethyl)-4-[(tetrahydro-2-furanylmethyl)amino]-1H-pyrrole-2,5-dione
CID 2939610
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498
N-(2-Phenyl-1-((tetrahydro-furan-2-ylmethyl)-carbamoyl)-vinyl)-benzamide
CID 5755105
N-((E)-2-(2-fluorophenyl)-1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}ethenyl)benzamide
CID 5755085
(2Z)-3-(2-Fluorophenyl)-N-[(oxolan-2-YL)methyl]-2-(phenylformamido)prop-2-enamide
CID 16428389
N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 16658829
N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 16658888
2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (CID 25246749) is (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is O=C(NCC1CCCO1)/C(=C\c1ccc(F)cc1)n1ccccc1=O.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The InChIKey is XUZKXHAUGDIDQS-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-8-6-14(7-9-15)12-17(22-10-2-1-5-18(22)23)19(24)21-13-16-4-3-11-25-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,21,24)/b17-12+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide has a molecular weight of 342.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is sourced from PubChem (CID 25246749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).