N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide

C19H15N5O4S — CID 153484099

IUPACN-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1coc2cscc12)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C19H15N5O4S/c20-18(26)17(25)13(5-11-7-28-15-9-29-8-12(11)15)23-19(27)14-6-21-10-24(14)16-3-1-2-4-22-16/h1-4,6-10,13H,5H2,(H2,20,26)(H,23,27)
InChIKeyATPQGIIHHGOVGX-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.47
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 153484099) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide
PubChem CID153484099
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC NameN-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1coc2cscc12)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C19H15N5O4S/c20-18(26)17(25)13(5-11-7-28-15-9-29-8-12(11)15)23-19(27)14-6-21-10-24(14)16-3-1-2-4-22-16/h1-4,6-10,13H,5H2,(H2,20,26)(H,23,27)
InChIKeyATPQGIIHHGOVGX-UHFFFAOYSA-N
XLogP1.47
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385782
N-[4-amino-3,4-dioxo-1-(1H-thieno[3,4-b]pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385834
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385622
N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 162146910
N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386313
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386185
N-[4-amino-3,4-dioxo-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153386083
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385762
N-[4-amino-1-(5-hydroxycyclopenta-1,3-dien-1-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385262
N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385659
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridazin-3-ylimidazole-4-carboxamide
CID 152805159
N-[4-amino-1-(4H-furo[3,2-b]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide
CID 153386037

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide (CID 153484099) is N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1coc2cscc12)NC(=O)c1cncn1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide?
The InChIKey is ATPQGIIHHGOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c20-18(26)17(25)13(5-11-7-28-15-9-29-8-12(11)15)23-19(27)14-6-21-10-24(14)16-3-1-2-4-22-16/h1-4,6-10,13H,5H2,(H2,20,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-thieno[3,4-b]furan-3-ylbutan-2-yl)-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 153484099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).