4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide

C20H16N4O5S — CID 146262374

IUPAC4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C20H16N4O5S/c21-18(25)14-9-11(5-7-22-14)10-29-12-1-3-13(4-2-12)30-15-6-8-28-17(15)16-19(26)24-20(27)23-16/h1-9,16H,10H2,(H2,21,25)(H2,23,24,26,27)
InChIKeyLZGWLQMHRAJBSF-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.38
Rot. Bonds7

About 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide

4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide (PubChem CID 146262374) has the molecular formula C20H16N4O5S and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide
PubChem CID146262374
Molecular FormulaC20H16N4O5S
Molecular Weight424.44 g/mol
Exact Mass424.08
IUPAC Name4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C20H16N4O5S/c21-18(25)14-9-11(5-7-22-14)10-29-12-1-3-13(4-2-12)30-15-6-8-28-17(15)16-19(26)24-20(27)23-16/h1-9,16H,10H2,(H2,21,25)(H2,23,24,26,27)
InChIKeyLZGWLQMHRAJBSF-UHFFFAOYSA-N
XLogP2.38
TPSA136.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide (CID 146262374) is 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1.
What is the InChIKey of 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is LZGWLQMHRAJBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5S/c21-18(25)14-9-11(5-7-22-14)10-29-12-1-3-13(4-2-12)30-15-6-8-28-17(15)16-19(26)24-20(27)23-16/h1-9,16H,10H2,(H2,21,25)(H2,23,24,26,27).
What are the key properties of 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide?
4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2,5-dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146262374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).