N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

C19H16N6O4 — CID 153385782

IUPACN-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1coc2c[nH]cc12)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C19H16N6O4/c20-18(27)17(26)13(5-11-9-29-15-8-21-6-12(11)15)24-19(28)14-7-22-10-25(14)16-3-1-2-4-23-16/h1-4,6-10,13,21H,5H2,(H2,20,27)(H,24,28)
InChIKeyUHYDDRXEPZEZEX-UHFFFAOYSA-N
MW392.38 g/mol
LogP0.74
Rot. Bonds7

About N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 153385782) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
PubChem CID153385782
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC NameN-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1coc2c[nH]cc12)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C19H16N6O4/c20-18(27)17(26)13(5-11-9-29-15-8-21-6-12(11)15)24-19(28)14-7-22-10-25(14)16-3-1-2-4-23-16/h1-4,6-10,13,21H,5H2,(H2,20,27)(H,24,28)
InChIKeyUHYDDRXEPZEZEX-UHFFFAOYSA-N
XLogP0.74
TPSA148.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The IUPAC name of 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) is N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1coc2c[nH]cc12)NC(=O)c1cncn1-c1ccccn1.
What is the InChIKey of N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The InChIKey is UHYDDRXEPZEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c20-18(27)17(26)13(5-11-9-29-15-8-21-6-12(11)15)24-19(28)14-7-22-10-25(14)16-3-1-2-4-23-16/h1-4,6-10,13,21H,5H2,(H2,20,27)(H,24,28).
What are the key properties of N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(5H-furo[2,3-c]pyrrol-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 153385782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).