N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane

C28H41N3O2S — CID 169138695

About N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane

N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane (PubChem CID 169138695) has the molecular formula C28H41N3O2S and a molecular weight of 483.72 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane
• PubChem CID: 169138695
• Molecular Formula: C28H41N3O2S
• Molecular Weight: 483.72 g/mol
• Exact Mass: 483.29
• IUPAC Name: N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane
• SMILES: CC.CCc1cc2c(s1)CCOC21CCN(Cc2ccc(C(=O)NC3CCCCC3)nc2)CC1
• InChI: InChI=1S/C26H35N3O2S.C2H6/c1-2-21-16-22-24(32-21)10-15-31-26(22)11-13-29(14-12-26)18-19-8-9-23(27-17-19)25(30)28-20-6-4-3-5-7-20;1-2/h8-9,16-17,20H,2-7,10-15,18H2,1H3,(H,28,30);1-2H3
• InChIKey: WZDRFLVXVKBQSW-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.72
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane?

The IUPAC name of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane (CID 169138695) is N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane.

What is the SMILES notation for N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane?

The canonical SMILES for N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane is CC.CCc1cc2c(s1)CCOC21CCN(Cc2ccc(C(=O)NC3CCCCC3)nc2)CC1.

What is the InChIKey of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane?

The InChIKey is WZDRFLVXVKBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2S.C2H6/c1-2-21-16-22-24(32-21)10-15-31-26(22)11-13-29(14-12-26)18-19-8-9-23(27-17-19)25(30)28-20-6-4-3-5-7-20;1-2/h8-9,16-17,20H,2-7,10-15,18H2,1H3,(H,28,30);1-2H3.

What are the key properties of N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane?

N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane has a molecular weight of 483.72 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 169138695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).