(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide

C19H16FN3O3 — CID 121034389

IUPAC(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H16FN3O3/c20-15-6-3-14(4-7-15)5-9-18(24)21-11-12-23-19(25)10-8-16(22-23)17-2-1-13-26-17/h1-10,13H,11-12H2,(H,21,24)/b9-5+
InChIKeyHIMHIHPJQDLKRH-WEVVVXLNSA-N
MW353.35 g/mol
LogP2.47
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide (PubChem CID 121034389) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
PubChem CID121034389
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H16FN3O3/c20-15-6-3-14(4-7-15)5-9-18(24)21-11-12-23-19(25)10-8-16(22-23)17-2-1-13-26-17/h1-10,13H,11-12H2,(H,21,24)/b9-5+
InChIKeyHIMHIHPJQDLKRH-WEVVVXLNSA-N
XLogP2.47
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357
(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
CID 121034453
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide (CID 121034389) is (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide?
The InChIKey is HIMHIHPJQDLKRH-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-15-6-3-14(4-7-15)5-9-18(24)21-11-12-23-19(25)10-8-16(22-23)17-2-1-13-26-17/h1-10,13H,11-12H2,(H,21,24)/b9-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide has a molecular weight of 353.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 121034389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).