3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide

C26H25Cl2N3O — CID 166933352

IUPAC3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3)cc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H25Cl2N3O/c1-16-23(19-7-4-8-21(27)24(19)28)20(25(29)32)13-22(30-16)31-11-9-26(10-12-31)14-17-5-2-3-6-18(17)15-26/h2-8,13H,9-12,14-15H2,1H3,(H2,29,32)
InChIKeyYYVIUMQLIKGUTK-UHFFFAOYSA-N
MW466.41 g/mol
LogP5.85
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide

3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide (PubChem CID 166933352) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
PubChem CID166933352
Molecular FormulaC26H25Cl2N3O
Molecular Weight466.41 g/mol
Exact Mass465.14
IUPAC Name3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3)cc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H25Cl2N3O/c1-16-23(19-7-4-8-21(27)24(19)28)20(25(29)32)13-22(30-16)31-11-9-26(10-12-31)14-17-5-2-3-6-18(17)15-26/h2-8,13H,9-12,14-15H2,1H3,(H2,29,32)
InChIKeyYYVIUMQLIKGUTK-UHFFFAOYSA-N
XLogP5.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide (CID 166933352) is 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide is Cc1nc(N2CCC3(CC2)Cc2ccccc2C3)cc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide?
The InChIKey is YYVIUMQLIKGUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c1-16-23(19-7-4-8-21(27)24(19)28)20(25(29)32)13-22(30-16)31-11-9-26(10-12-31)14-17-5-2-3-6-18(17)15-26/h2-8,13H,9-12,14-15H2,1H3,(H2,29,32).
What are the key properties of 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide?
3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide has a molecular weight of 466.41 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide is sourced from PubChem (CID 166933352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).