6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide

C20H24N4O3 — CID 163316736

IUPAC6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC3(CC2)OCCc2cccc(OC)c23)nn1
InChIInChI=1S/C20H24N4O3/c1-21-19(25)15-6-7-17(23-22-15)24-11-9-20(10-12-24)18-14(8-13-27-20)4-3-5-16(18)26-2/h3-7H,8-13H2,1-2H3,(H,21,25)
InChIKeyGLKCUIQFMOYORZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.91
Rot. Bonds3

About 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide

6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide (PubChem CID 163316736) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide
PubChem CID163316736
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC3(CC2)OCCc2cccc(OC)c23)nn1
InChIInChI=1S/C20H24N4O3/c1-21-19(25)15-6-7-17(23-22-15)24-11-9-20(10-12-24)18-14(8-13-27-20)4-3-5-16(18)26-2/h3-7H,8-13H2,1-2H3,(H,21,25)
InChIKeyGLKCUIQFMOYORZ-UHFFFAOYSA-N
XLogP1.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide (CID 163316736) is 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC3(CC2)OCCc2cccc(OC)c23)nn1.
What is the InChIKey of 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide?
The InChIKey is GLKCUIQFMOYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-21-19(25)15-6-7-17(23-22-15)24-11-9-20(10-12-24)18-14(8-13-27-20)4-3-5-16(18)26-2/h3-7H,8-13H2,1-2H3,(H,21,25).
What are the key properties of 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide?
6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 163316736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).