5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile

C19H21N3OS — CID 135090073

IUPAC5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(N2CCC3(CC2)OCCc2ccsc23)nc1C
InChIInChI=1S/C19H21N3OS/c1-13-11-16(12-20)18(21-14(13)2)22-7-5-19(6-8-22)17-15(3-9-23-19)4-10-24-17/h4,10-11H,3,5-9H2,1-2H3
InChIKeyHLVWOAWLNIMCDG-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.70
Rot. Bonds1

About 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile

5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile (PubChem CID 135090073) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
PubChem CID135090073
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(N2CCC3(CC2)OCCc2ccsc23)nc1C
InChIInChI=1S/C19H21N3OS/c1-13-11-16(12-20)18(21-14(13)2)22-7-5-19(6-8-22)17-15(3-9-23-19)4-10-24-17/h4,10-11H,3,5-9H2,1-2H3
InChIKeyHLVWOAWLNIMCDG-UHFFFAOYSA-N
XLogP3.70
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile (CID 135090073) is 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile is Cc1cc(C#N)c(N2CCC3(CC2)OCCc2ccsc23)nc1C.
What is the InChIKey of 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
The InChIKey is HLVWOAWLNIMCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-11-16(12-20)18(21-14(13)2)22-7-5-19(6-8-22)17-15(3-9-23-19)4-10-24-17/h4,10-11H,3,5-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile has a molecular weight of 339.46 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135090073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).