N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide

C26H19N3O3 — CID 1098340

IUPACN-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O
InChIInChI=1S/C26H19N3O3/c30-23-15-19-11-5-4-10-18(19)14-21(23)25(31)28-27-24-20-12-6-7-13-22(20)29(26(24)32)16-17-8-2-1-3-9-17/h1-15,30,32H,16H2/b28-27+
InChIKeyZWSBBYODLRMEQN-BYYHNAKLSA-N
MW421.46 g/mol
LogP6.18
Rot. Bonds4

About N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide

N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide (PubChem CID 1098340) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide
PubChem CID1098340
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O
InChIInChI=1S/C26H19N3O3/c30-23-15-19-11-5-4-10-18(19)14-21(23)25(31)28-27-24-20-12-6-7-13-22(20)29(26(24)32)16-17-8-2-1-3-9-17/h1-15,30,32H,16H2/b28-27+
InChIKeyZWSBBYODLRMEQN-BYYHNAKLSA-N
XLogP6.18
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide (CID 1098340) is N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide is O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O.
What is the InChIKey of N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is ZWSBBYODLRMEQN-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H19N3O3/c30-23-15-19-11-5-4-10-18(19)14-21(23)25(31)28-27-24-20-12-6-7-13-22(20)29(26(24)32)16-17-8-2-1-3-9-17/h1-15,30,32H,16H2/b28-27+.
What are the key properties of N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide?
N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 1098340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).