N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

C15H11N5O6 — CID 3311094

IUPACN-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H11N5O6/c21-12(7-16-14(22)11-2-1-5-26-11)18-19-13-9-6-8(20(24)25)3-4-10(9)17-15(13)23/h1-6,17,23H,7H2,(H,16,22)/b19-18+
InChIKeyAXHUHBGVODSVPR-VHEBQXMUSA-N
MW357.28 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3311094) has the molecular formula C15H11N5O6 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID3311094
Molecular FormulaC15H11N5O6
Molecular Weight357.28 g/mol
Exact Mass357.07
IUPAC NameN-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H11N5O6/c21-12(7-16-14(22)11-2-1-5-26-11)18-19-13-9-6-8(20(24)25)3-4-10(9)17-15(13)23/h1-6,17,23H,7H2,(H,16,22)/b19-18+
InChIKeyAXHUHBGVODSVPR-VHEBQXMUSA-N
XLogP2.41
TPSA163.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]furan-2-carboxamide
CID 674570
Furan-2-carboxylic acid (2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
CID 727719
N-[(Z)-(2-oxo-1-propylindol-3-ylidene)amino]furan-2-carboxamide
CID 829560
(Z)-N-(2-(2-(1-methyl-2-oxoindolin-3-ylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 917380
(Z)-N-(2-oxo-2-(2-(2-oxo-1-phenethylindolin-3-ylidene)hydrazinyl)ethyl)furan-2-carboxamide
CID 1418564
(Z)-N'-(1-butyl-2-oxoindolin-3-ylidene)furan-2-carbohydrazide
CID 1972676
N'-[(3E)-5-Nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-phenoxypropanehydrazide
CID 4633647
(2E)-3-(4-Methoxyphenyl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 135735435
N-[2-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide
CID 917064
(Z)-N-(2-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 1391602
(E)-3-(furan-2-yl)-N-[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]ethyl]prop-2-enamide
CID 1650543
(2E)-N-{2-[(2E)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-2-oxoethyl}-3-(furan-2-yl)prop-2-enamide (non-preferred name)
CID 1903107

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide (CID 3311094) is N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AXHUHBGVODSVPR-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H11N5O6/c21-12(7-16-14(22)11-2-1-5-26-11)18-19-13-9-6-8(20(24)25)3-4-10(9)17-15(13)23/h1-6,17,23H,7H2,(H,16,22)/b19-18+.
What are the key properties of N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 357.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3311094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).