N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide

C19H13N3O2 — CID 6876241

IUPACN-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H13N3O2/c23-19(22-21-12-13-7-9-20-10-8-13)18-11-16-15-4-2-1-3-14(15)5-6-17(16)24-18/h1-12H,(H,22,23)/b21-12+
InChIKeyIYBBOHFITSTGKT-CIAFOILYSA-N
MW315.33 g/mol
LogP3.74
Rot. Bonds3

About N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 6876241) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID6876241
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H13N3O2/c23-19(22-21-12-13-7-9-20-10-8-13)18-11-16-15-4-2-1-3-14(15)5-6-17(16)24-18/h1-12H,(H,22,23)/b21-12+
InChIKeyIYBBOHFITSTGKT-CIAFOILYSA-N
XLogP3.74
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-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

Related Compounds

N'-[(E)-(2-ethoxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 9562857
5-[(4-propylphenoxy)methyl]-N'-(3-pyridinylmethylene)-2-furohydrazide
CID 6874482
N'-[(2-hydroxy-1-naphthyl)methylene]-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 135401433
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
3-methoxy-N-[(E)-pyridin-3-ylmethylideneamino]naphthalene-2-carboxamide
CID 6880945
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide
CID 7677970
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977
N'-[(E)-(2-ethoxynaphthalen-1-yl)methylidene]-6-methylpyridine-3-carbohydrazide
CID 9595401
5-[(naphthalen-1-yloxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 136205698

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 6876241) is N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide is O=C(N/N=C/c1ccncc1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is IYBBOHFITSTGKT-CIAFOILYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(22-21-12-13-7-9-20-10-8-13)18-11-16-15-4-2-1-3-14(15)5-6-17(16)24-18/h1-12H,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-4-ylmethylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 6876241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).