N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

C16H14N4O4 — CID 917380

IUPACN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C16H14N4O4/c1-20-11-6-3-2-5-10(11)14(16(20)23)19-18-13(21)9-17-15(22)12-7-4-8-24-12/h2-8,23H,9H2,1H3,(H,17,22)/b19-18+
InChIKeyGVGWEHOTLVXQIX-VHEBQXMUSA-N
MW326.31 g/mol
LogP2.52
Rot. Bonds4

About N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 917380) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID917380
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C16H14N4O4/c1-20-11-6-3-2-5-10(11)14(16(20)23)19-18-13(21)9-17-15(22)12-7-4-8-24-12/h2-8,23H,9H2,1H3,(H,17,22)/b19-18+
InChIKeyGVGWEHOTLVXQIX-VHEBQXMUSA-N
XLogP2.52
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (CID 917380) is N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21.
What is the InChIKey of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GVGWEHOTLVXQIX-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-20-11-6-3-2-5-10(11)14(16(20)23)19-18-13(21)9-17-15(22)12-7-4-8-24-12/h2-8,23H,9H2,1H3,(H,17,22)/b19-18+.
What are the key properties of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 917380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).