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

C27H30N4O4 — CID 46226260

IUPACN-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
SMILESCOC1CC2(CCN(c3ccc(C(=O)NCC(O)c4ccccc4)nn3)CC2)Oc2ccccc21
InChIInChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33)
InChIKeyRJTHOZRLXMDNHA-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.45
Rot. Bonds6

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

N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide (PubChem CID 46226260) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
PubChem CID46226260
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
SMILESCOC1CC2(CCN(c3ccc(C(=O)NCC(O)c4ccccc4)nn3)CC2)Oc2ccccc21
InChIInChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33)
InChIKeyRJTHOZRLXMDNHA-UHFFFAOYSA-N
XLogP3.45
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide (CID 46226260) is N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide is COC1CC2(CCN(c3ccc(C(=O)NCC(O)c4ccccc4)nn3)CC2)Oc2ccccc21.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The InChIKey is RJTHOZRLXMDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-24-17-27(35-23-10-6-5-9-20(23)24)13-15-31(16-14-27)25-12-11-21(29-30-25)26(33)28-18-22(32)19-7-3-2-4-8-19/h2-12,22,24,32H,13-18H2,1H3,(H,28,33).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 46226260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).