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

C13H8N4O5 — CID 3382763

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1
InChIInChI=1S/C13H8N4O5/c18-12(10-2-1-5-22-10)16-15-11-8-6-7(17(20)21)3-4-9(8)14-13(11)19/h1-6,14,19H/b16-15+
InChIKeyDRYHDIQFSCSLSF-FOCLMDBBSA-N
MW300.23 g/mol
LogP3.30
Rot. Bonds3

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

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide (PubChem CID 3382763) has the molecular formula C13H8N4O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
PubChem CID3382763
Molecular FormulaC13H8N4O5
Molecular Weight300.23 g/mol
Exact Mass300.05
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1
InChIInChI=1S/C13H8N4O5/c18-12(10-2-1-5-22-10)16-15-11-8-6-7(17(20)21)3-4-9(8)14-13(11)19/h1-6,14,19H/b16-15+
InChIKeyDRYHDIQFSCSLSF-FOCLMDBBSA-N
XLogP3.30
TPSA134.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.30
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylcyclopropane-1-carboxamide
CID 4996808
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 135749586
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
CID 135976516

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide (CID 3382763) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide?
The InChIKey is DRYHDIQFSCSLSF-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H8N4O5/c18-12(10-2-1-5-22-10)16-15-11-8-6-7(17(20)21)3-4-9(8)14-13(11)19/h1-6,14,19H/b16-15+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide is sourced from PubChem (CID 3382763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).