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

C19H13N3O3 — CID 598695

IUPAC3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2cc1O
InChIInChI=1S/C19H13N3O3/c23-16-10-12-6-2-1-5-11(12)9-14(16)18(24)22-21-17-13-7-3-4-8-15(13)20-19(17)25/h1-10,20,23,25H/b22-21+
InChIKeyPDPLNDWWYQOFIK-QURGRASLSA-N
MW331.33 g/mol
LogP4.66
Rot. Bonds2

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

3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide (PubChem CID 598695) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide
PubChem CID598695
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2cc1O
InChIInChI=1S/C19H13N3O3/c23-16-10-12-6-2-1-5-11(12)9-14(16)18(24)22-21-17-13-7-3-4-8-15(13)20-19(17)25/h1-10,20,23,25H/b22-21+
InChIKeyPDPLNDWWYQOFIK-QURGRASLSA-N
XLogP4.66
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide (CID 598695) is 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
The InChIKey is PDPLNDWWYQOFIK-QURGRASLSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-16-10-12-6-2-1-5-11(12)9-14(16)18(24)22-21-17-13-7-3-4-8-15(13)20-19(17)25/h1-10,20,23,25H/b22-21+.
What are the key properties of 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide?
3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 4.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]naphthalene-2-carboxamide is sourced from PubChem (CID 598695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).