N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide

C26H28N4O4 — CID 46226259

IUPACN-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)CC(O)c2ccccc2O3)nn1
InChIInChI=1S/C26H28N4O4/c31-21-16-26(34-23-9-5-4-8-19(21)23)12-14-30(15-13-26)24-11-10-20(28-29-24)25(33)27-17-22(32)18-6-2-1-3-7-18/h1-11,21-22,31-32H,12-17H2,(H,27,33)
InChIKeyCVZDYMNIISAMCT-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.80
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide (PubChem CID 46226259) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
PubChem CID46226259
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)CC(O)c2ccccc2O3)nn1
InChIInChI=1S/C26H28N4O4/c31-21-16-26(34-23-9-5-4-8-19(21)23)12-14-30(15-13-26)24-11-10-20(28-29-24)25(33)27-17-22(32)18-6-2-1-3-7-18/h1-11,21-22,31-32H,12-17H2,(H,27,33)
InChIKeyCVZDYMNIISAMCT-UHFFFAOYSA-N
XLogP2.80
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide 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 N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide (CID 46226259) is N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide is O=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)CC(O)c2ccccc2O3)nn1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The InChIKey is CVZDYMNIISAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-21-16-26(34-23-9-5-4-8-19(21)23)12-14-30(15-13-26)24-11-10-20(28-29-24)25(33)27-17-22(32)18-6-2-1-3-7-18/h1-11,21-22,31-32H,12-17H2,(H,27,33).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-6-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 46226259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).