N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen

C28H39N3O2S — CID 169140091

About N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen

N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 169140091) has the molecular formula C28H39N3O2S and a molecular weight of 481.71 g/mol. Its IUPAC name is N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 169140091
• Molecular Formula: C28H39N3O2S
• Molecular Weight: 481.71 g/mol
• Exact Mass: 481.28
• IUPAC Name: N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CCc1cc2c(s1)CCO[C@@]21CCN(CC2CC(NC(=O)c3cnc4c(c3)CCC4)C2)C(C)C1.[H][H]
• InChI: InChI=1S/C28H37N3O2S.H2/c1-3-23-14-24-26(34-23)7-10-33-28(24)8-9-31(18(2)15-28)17-19-11-22(12-19)30-27(32)21-13-20-5-4-6-25(20)29-16-21;/h13-14,16,18-19,22H,3-12,15,17H2,1-2H3,(H,30,32);1H/t18?,19?,22?,28-;/m1./s1
• InChIKey: WEEVNOVPGNUNTQ-PLVZECAFSA-N
• XLogP: 4.90
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.71
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen (CID 169140091) is N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen is CCc1cc2c(s1)CCO[C@@]21CCN(CC2CC(NC(=O)c3cnc4c(c3)CCC4)C2)C(C)C1.[H][H].

What is the InChIKey of N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is WEEVNOVPGNUNTQ-PLVZECAFSA-N. The full InChI is InChI=1S/C28H37N3O2S.H2/c1-3-23-14-24-26(34-23)7-10-33-28(24)8-9-31(18(2)15-28)17-19-11-22(12-19)30-27(32)21-13-20-5-4-6-25(20)29-16-21;/h13-14,16,18-19,22H,3-12,15,17H2,1-2H3,(H,30,32);1H/t18?,19?,22?,28-;/m1./s1.

What are the key properties of N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen?

N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 481.71 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 169140091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).