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

C15H11N3O2 — CID 6885515

IUPACN-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1cc2ccccc2o1
InChIInChI=1S/C15H11N3O2/c19-15(18-17-10-11-5-7-16-8-6-11)14-9-12-3-1-2-4-13(12)20-14/h1-10H,(H,18,19)/b17-10+
InChIKeyHJIMMCXABJUTFU-LICLKQGHSA-N
MW265.27 g/mol
LogP2.59
Rot. Bonds3

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

N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 6885515) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide
PubChem CID6885515
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1cc2ccccc2o1
InChIInChI=1S/C15H11N3O2/c19-15(18-17-10-11-5-7-16-8-6-11)14-9-12-3-1-2-4-13(12)20-14/h1-10H,(H,18,19)/b17-10+
InChIKeyHJIMMCXABJUTFU-LICLKQGHSA-N
XLogP2.59
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.59
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide (CID 6885515) is N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1ccncc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is HJIMMCXABJUTFU-LICLKQGHSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(18-17-10-11-5-7-16-8-6-11)14-9-12-3-1-2-4-13(12)20-14/h1-10H,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-pyridin-4-ylmethylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.59, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6885515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).