4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide

C20H15FN2O4 — CID 69138597

IUPAC4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide
SMILESO=C(Nc1ccccn1)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H15FN2O4/c21-14-6-4-13(5-7-14)11-15-8-9-18(27-15)16(24)12-17(25)20(26)23-19-3-1-2-10-22-19/h1-10,12,25H,11H2,(H,22,23,26)
InChIKeyALQYOYQJZVCMKF-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.67
Rot. Bonds6

About 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide

4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide (PubChem CID 69138597) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide
PubChem CID69138597
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide
SMILESO=C(Nc1ccccn1)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H15FN2O4/c21-14-6-4-13(5-7-14)11-15-8-9-18(27-15)16(24)12-17(25)20(26)23-19-3-1-2-10-22-19/h1-10,12,25H,11H2,(H,22,23,26)
InChIKeyALQYOYQJZVCMKF-UHFFFAOYSA-N
XLogP3.67
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyrazin-2-ylprop-2-en-1-one
CID 6478848
6-[(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxy-3-oxoprop-1-enyl]pyridine-3-carboxylic acid
CID 6478850
methyl (Z)-4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 22209624
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-en-1-one
CID 509499
5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 154693101
(E)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one
CID 22209642
(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione
CID 118244664
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxobutanoic acid
CID 91404110
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
methyl 4-(5-benzylfuran-2-yl)-4-hydroxy-2-oxobut-3-enoate
CID 67425173
1-[5-[(2,5-difluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CID 69138476
1-[5-[(2-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69139495

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide (CID 69138597) is 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide is O=C(Nc1ccccn1)C(O)=CC(=O)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide?
The InChIKey is ALQYOYQJZVCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-14-6-4-13(5-7-14)11-15-8-9-18(27-15)16(24)12-17(25)20(26)23-19-3-1-2-10-22-19/h1-10,12,25H,11H2,(H,22,23,26).
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide?
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide has a molecular weight of 366.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide is sourced from PubChem (CID 69138597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).