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

C19H12N4O5 — CID 3935186

IUPAC3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc2ccccc2cc1O
InChIInChI=1S/C19H12N4O5/c24-16-8-11-4-2-1-3-10(11)7-14(16)18(25)22-21-17-13-9-12(23(27)28)5-6-15(13)20-19(17)26/h1-9,20,24,26H/b22-21+
InChIKeyBYFNARBOLODNDN-QURGRASLSA-N
MW376.33 g/mol
LogP4.56
Rot. Bonds3

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

3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide (PubChem CID 3935186) has the molecular formula C19H12N4O5 and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide
PubChem CID3935186
Molecular FormulaC19H12N4O5
Molecular Weight376.33 g/mol
Exact Mass376.08
IUPAC Name3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc2ccccc2cc1O
InChIInChI=1S/C19H12N4O5/c24-16-8-11-4-2-1-3-10(11)7-14(16)18(25)22-21-17-13-9-12(23(27)28)5-6-15(13)20-19(17)26/h1-9,20,24,26H/b22-21+
InChIKeyBYFNARBOLODNDN-QURGRASLSA-N
XLogP4.56
TPSA141.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.56
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide (CID 3935186) is 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
The InChIKey is BYFNARBOLODNDN-QURGRASLSA-N. The full InChI is InChI=1S/C19H12N4O5/c24-16-8-11-4-2-1-3-10(11)7-14(16)18(25)22-21-17-13-9-12(23(27)28)5-6-15(13)20-19(17)26/h1-9,20,24,26H/b22-21+.
What are the key properties of 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-2-carboxamide is sourced from PubChem (CID 3935186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).