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

C26H28N4O3S — CID 118534557

IUPAC6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2
InChIInChI=1S/C26H28N4O3S/c1-2-9-30-10-7-26(8-11-30)13-23(31)21-12-18(4-6-24(21)33-26)22-5-3-19(14-28-22)25(32)29-16-20-15-27-17-34-20/h3-6,12,14-15,17H,2,7-11,13,16H2,1H3,(H,29,32)
InChIKeyBEYFZJHGCJBBFT-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.34
Rot. Bonds6

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

6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 118534557) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID118534557
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2
InChIInChI=1S/C26H28N4O3S/c1-2-9-30-10-7-26(8-11-30)13-23(31)21-12-18(4-6-24(21)33-26)22-5-3-19(14-28-22)25(32)29-16-20-15-27-17-34-20/h3-6,12,14-15,17H,2,7-11,13,16H2,1H3,(H,29,32)
InChIKeyBEYFZJHGCJBBFT-UHFFFAOYSA-N
XLogP4.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 118534557) is 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is CCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2.
What is the InChIKey of 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BEYFZJHGCJBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-2-9-30-10-7-26(8-11-30)13-23(31)21-12-18(4-6-24(21)33-26)22-5-3-19(14-28-22)25(32)29-16-20-15-27-17-34-20/h3-6,12,14-15,17H,2,7-11,13,16H2,1H3,(H,29,32).
What are the key properties of 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118534557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).