3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide

C17H15N3O2 — CID 135730495

IUPAC3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc[nH]1
InChIInChI=1S/C17H15N3O2/c1-11(15-7-4-8-18-15)19-20-17(22)14-9-12-5-2-3-6-13(12)10-16(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-11+
InChIKeyTVJJQRGPCYPHIZ-YBFXNURJSA-N
MW293.33 g/mol
LogP3.03
Rot. Bonds3

About 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide (PubChem CID 135730495) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide
PubChem CID135730495
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc[nH]1
InChIInChI=1S/C17H15N3O2/c1-11(15-7-4-8-18-15)19-20-17(22)14-9-12-5-2-3-6-13(12)10-16(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-11+
InChIKeyTVJJQRGPCYPHIZ-YBFXNURJSA-N
XLogP3.03
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-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 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide (CID 135730495) is 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide is C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc[nH]1.
What is the InChIKey of 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide?
The InChIKey is TVJJQRGPCYPHIZ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11(15-7-4-8-18-15)19-20-17(22)14-9-12-5-2-3-6-13(12)10-16(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-11+.
What are the key properties of 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 135730495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).