(E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide

C19H22FN5O2 — CID 146173264

IUPAC(E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc(O)c(-c2ccc(N3CCC(N)CC3)nn2)cc1F
InChIInChI=1S/C19H22FN5O2/c1-22-19(27)5-2-12-10-17(26)14(11-15(12)20)16-3-4-18(24-23-16)25-8-6-13(21)7-9-25/h2-5,10-11,13,26H,6-9,21H2,1H3,(H,22,27)/b5-2+
InChIKeyINTDSWCQTHYXFR-GORDUTHDSA-N
MW371.42 g/mol
LogP1.67
Rot. Bonds4

About (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide

(E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide (PubChem CID 146173264) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide
PubChem CID146173264
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name(E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc(O)c(-c2ccc(N3CCC(N)CC3)nn2)cc1F
InChIInChI=1S/C19H22FN5O2/c1-22-19(27)5-2-12-10-17(26)14(11-15(12)20)16-3-4-18(24-23-16)25-8-6-13(21)7-9-25/h2-5,10-11,13,26H,6-9,21H2,1H3,(H,22,27)/b5-2+
InChIKeyINTDSWCQTHYXFR-GORDUTHDSA-N
XLogP1.67
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide (CID 146173264) is (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cc(O)c(-c2ccc(N3CCC(N)CC3)nn2)cc1F.
What is the InChIKey of (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide?
The InChIKey is INTDSWCQTHYXFR-GORDUTHDSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-22-19(27)5-2-12-10-17(26)14(11-15(12)20)16-3-4-18(24-23-16)25-8-6-13(21)7-9-25/h2-5,10-11,13,26H,6-9,21H2,1H3,(H,22,27)/b5-2+.
What are the key properties of (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide?
(E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide has a molecular weight of 371.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 146173264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).