(E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide

C18H21N3O2 — CID 21246463

IUPAC(E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide
SMILESCC/C=C/CC(=O)/N=c1\cnn(-c2ccccc2)c(OCC)c1
InChIInChI=1S/C18H21N3O2/c1-3-5-7-12-17(22)20-15-13-18(23-4-2)21(19-14-15)16-10-8-6-9-11-16/h5-11,13-14H,3-4,12H2,1-2H3/b7-5+,20-15-
InChIKeyBSYFLYYVNPSMHS-UNGLZEGISA-N
MW311.39 g/mol
LogP3.05
Rot. Bonds6

About (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide

(E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide (PubChem CID 21246463) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide.

Molecular Properties

Compound Name(E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide
PubChem CID21246463
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide
SMILESCC/C=C/CC(=O)/N=c1\cnn(-c2ccccc2)c(OCC)c1
InChIInChI=1S/C18H21N3O2/c1-3-5-7-12-17(22)20-15-13-18(23-4-2)21(19-14-15)16-10-8-6-9-11-16/h5-11,13-14H,3-4,12H2,1-2H3/b7-5+,20-15-
InChIKeyBSYFLYYVNPSMHS-UNGLZEGISA-N
XLogP3.05
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide?
The IUPAC name of (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide (CID 21246463) is (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide.
What is the SMILES notation for (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide?
The canonical SMILES for (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide is CC/C=C/CC(=O)/N=c1\cnn(-c2ccccc2)c(OCC)c1.
What is the InChIKey of (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide?
The InChIKey is BSYFLYYVNPSMHS-UNGLZEGISA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-5-7-12-17(22)20-15-13-18(23-4-2)21(19-14-15)16-10-8-6-9-11-16/h5-11,13-14H,3-4,12H2,1-2H3/b7-5+,20-15-.
What are the key properties of (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide?
(E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide has a molecular weight of 311.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-ethoxy-1-phenylpyridazin-4-ylidene)hex-3-enamide is sourced from PubChem (CID 21246463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).