5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide

C17H19N3O2S — CID 155505630

IUPAC5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cc3c(s2)C2(CCNCC2)OCC3)c1
InChIInChI=1S/C17H19N3O2S/c18-16(21)13-7-12(9-20-10-13)14-8-11-1-6-22-17(15(11)23-14)2-4-19-5-3-17/h7-10,19H,1-6H2,(H2,18,21)
InChIKeyXPWPFENPJMPSKO-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.06
Rot. Bonds2

About 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide

5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide (PubChem CID 155505630) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide
PubChem CID155505630
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cc3c(s2)C2(CCNCC2)OCC3)c1
InChIInChI=1S/C17H19N3O2S/c18-16(21)13-7-12(9-20-10-13)14-8-11-1-6-22-17(15(11)23-14)2-4-19-5-3-17/h7-10,19H,1-6H2,(H2,18,21)
InChIKeyXPWPFENPJMPSKO-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide (CID 155505630) is 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide is NC(=O)c1cncc(-c2cc3c(s2)C2(CCNCC2)OCC3)c1.
What is the InChIKey of 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide?
The InChIKey is XPWPFENPJMPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c18-16(21)13-7-12(9-20-10-13)14-8-11-1-6-22-17(15(11)23-14)2-4-19-5-3-17/h7-10,19H,1-6H2,(H2,18,21).
What are the key properties of 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide?
5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 155505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).