N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide

C12H11N3O3 — CID 136915218

IUPACN-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
SMILESN/C(=N/NC(=O)c1ccco1)c1ccccc1O
InChIInChI=1S/C12H11N3O3/c13-11(8-4-1-2-5-9(8)16)14-15-12(17)10-6-3-7-18-10/h1-7,16H,(H2,13,14)(H,15,17)
InChIKeyWEQVGXIJXVYANB-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.04
Rot. Bonds3

About N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide

N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide (PubChem CID 136915218) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
PubChem CID136915218
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
SMILESN/C(=N/NC(=O)c1ccco1)c1ccccc1O
InChIInChI=1S/C12H11N3O3/c13-11(8-4-1-2-5-9(8)16)14-15-12(17)10-6-3-7-18-10/h1-7,16H,(H2,13,14)(H,15,17)
InChIKeyWEQVGXIJXVYANB-UHFFFAOYSA-N
XLogP1.04
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
CID 10356225
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
CID 170856265
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135784630
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135644319
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-hydroxybenzamide
CID 15777277
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide (CID 136915218) is N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide is N/C(=N/NC(=O)c1ccco1)c1ccccc1O.
What is the InChIKey of N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide?
The InChIKey is WEQVGXIJXVYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-11(8-4-1-2-5-9(8)16)14-15-12(17)10-6-3-7-18-10/h1-7,16H,(H2,13,14)(H,15,17).
What are the key properties of N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide?
N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 136915218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).