3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide

C18H16N4O2 — CID 71961262

IUPAC3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
SMILESCc1ccc(Nc2ccc(NC(=O)C=Cc3ccco3)cc2)nn1
InChIInChI=1S/C18H16N4O2/c1-13-4-10-17(22-21-13)19-14-5-7-15(8-6-14)20-18(23)11-9-16-3-2-12-24-16/h2-12H,1H3,(H,19,22)(H,20,23)
InChIKeyJRUXZLGOEKXRKG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.77
Rot. Bonds5

About 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide

3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide (PubChem CID 71961262) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
PubChem CID71961262
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
SMILESCc1ccc(Nc2ccc(NC(=O)C=Cc3ccco3)cc2)nn1
InChIInChI=1S/C18H16N4O2/c1-13-4-10-17(22-21-13)19-14-5-7-15(8-6-14)20-18(23)11-9-16-3-2-12-24-16/h2-12H,1H3,(H,19,22)(H,20,23)
InChIKeyJRUXZLGOEKXRKG-UHFFFAOYSA-N
XLogP3.77
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122286682
(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 122325645
(E)-3-(furan-2-yl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122286941
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 71961453
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
CID 1292346

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide (CID 71961262) is 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide is Cc1ccc(Nc2ccc(NC(=O)C=Cc3ccco3)cc2)nn1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide?
The InChIKey is JRUXZLGOEKXRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-4-10-17(22-21-13)19-14-5-7-15(8-6-14)20-18(23)11-9-16-3-2-12-24-16/h2-12H,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide has a molecular weight of 320.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 71961262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).