6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

C25H26N4O3S — CID 129021914

IUPAC6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2
InChIInChI=1S/C25H26N4O3S/c1-2-29-9-7-25(8-10-29)12-22(30)20-11-17(4-6-23(20)32-25)21-5-3-18(13-27-21)24(31)28-15-19-14-26-16-33-19/h3-6,11,13-14,16H,2,7-10,12,15H2,1H3,(H,28,31)
InChIKeyCZQQGJVOJGFYDE-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.95
Rot. Bonds5

About 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 129021914) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID129021914
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2
InChIInChI=1S/C25H26N4O3S/c1-2-29-9-7-25(8-10-29)12-22(30)20-11-17(4-6-23(20)32-25)21-5-3-18(13-27-21)24(31)28-15-19-14-26-16-33-19/h3-6,11,13-14,16H,2,7-10,12,15H2,1H3,(H,28,31)
InChIKeyCZQQGJVOJGFYDE-UHFFFAOYSA-N
XLogP3.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 129021914) is 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is CCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2.
What is the InChIKey of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CZQQGJVOJGFYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-2-29-9-7-25(8-10-29)12-22(30)20-11-17(4-6-23(20)32-25)21-5-3-18(13-27-21)24(31)28-15-19-14-26-16-33-19/h3-6,11,13-14,16H,2,7-10,12,15H2,1H3,(H,28,31).
What are the key properties of 6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 129021914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).