N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride

C21H27Cl2N3O2 — CID 154895204

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCO[C@H]1[C@H](NC(=O)c2ccc(C)nc2)c2ccccc2C12CCNCC2.Cl.Cl
InChIInChI=1S/C21H25N3O2.2ClH/c1-14-7-8-15(13-23-14)20(25)24-18-16-5-3-4-6-17(16)21(19(18)26-2)9-11-22-12-10-21;;/h3-8,13,18-19,22H,9-12H2,1-2H3,(H,24,25);2*1H/t18-,19+;;/m1../s1
InChIKeyFOIBPXOPUDCBBE-QNCHGCKQSA-N
MW424.37 g/mol
LogP3.35
Rot. Bonds3

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 154895204) has the molecular formula C21H27Cl2N3O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID154895204
Molecular FormulaC21H27Cl2N3O2
Molecular Weight424.37 g/mol
Exact Mass423.15
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCO[C@H]1[C@H](NC(=O)c2ccc(C)nc2)c2ccccc2C12CCNCC2.Cl.Cl
InChIInChI=1S/C21H25N3O2.2ClH/c1-14-7-8-15(13-23-14)20(25)24-18-16-5-3-4-6-17(16)21(19(18)26-2)9-11-22-12-10-21;;/h3-8,13,18-19,22H,9-12H2,1-2H3,(H,24,25);2*1H/t18-,19+;;/m1../s1
InChIKeyFOIBPXOPUDCBBE-QNCHGCKQSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride (CID 154895204) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride is CO[C@H]1[C@H](NC(=O)c2ccc(C)nc2)c2ccccc2C12CCNCC2.Cl.Cl.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is FOIBPXOPUDCBBE-QNCHGCKQSA-N. The full InChI is InChI=1S/C21H25N3O2.2ClH/c1-14-7-8-15(13-23-14)20(25)24-18-16-5-3-4-6-17(16)21(19(18)26-2)9-11-22-12-10-21;;/h3-8,13,18-19,22H,9-12H2,1-2H3,(H,24,25);2*1H/t18-,19+;;/m1../s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 424.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154895204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).