6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C26H27N3O3S — CID 135207643

IUPAC6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cccs4)cn3)ccc1O2
InChIInChI=1S/C26H27N3O3S/c1-2-29-11-9-26(10-12-29)15-23(30)21-14-18(6-8-24(21)32-26)22-7-5-19(16-27-22)25(31)28-17-20-4-3-13-33-20/h3-8,13-14,16H,2,9-12,15,17H2,1H3,(H,28,31)
InChIKeySXEFLLJPDGHOGI-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.56
Rot. Bonds5

About 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 135207643) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID135207643
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cccs4)cn3)ccc1O2
InChIInChI=1S/C26H27N3O3S/c1-2-29-11-9-26(10-12-29)15-23(30)21-14-18(6-8-24(21)32-26)22-7-5-19(16-27-22)25(31)28-17-20-4-3-13-33-20/h3-8,13-14,16H,2,9-12,15,17H2,1H3,(H,28,31)
InChIKeySXEFLLJPDGHOGI-UHFFFAOYSA-N
XLogP4.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 135207643) is 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is CCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cccs4)cn3)ccc1O2.
What is the InChIKey of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SXEFLLJPDGHOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-2-29-11-9-26(10-12-29)15-23(30)21-14-18(6-8-24(21)32-26)22-7-5-19(16-27-22)25(31)28-17-20-4-3-13-33-20/h3-8,13-14,16H,2,9-12,15,17H2,1H3,(H,28,31).
What are the key properties of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135207643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).