N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H13N3O5 — CID 135550903

IUPACN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C14H13N3O5/c18-10-4-3-9(11(19)6-10)7-16-17-13(20)8-15-14(21)12-2-1-5-22-12/h1-7,18-19H,8H2,(H,15,21)(H,17,20)/b16-7+
InChIKeyYVOJOKHPLRZEQD-FRKPEAEDSA-N
MW303.27 g/mol
LogP0.57
Rot. Bonds5

About N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 135550903) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID135550903
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C14H13N3O5/c18-10-4-3-9(11(19)6-10)7-16-17-13(20)8-15-14(21)12-2-1-5-22-12/h1-7,18-19H,8H2,(H,15,21)(H,17,20)/b16-7+
InChIKeyYVOJOKHPLRZEQD-FRKPEAEDSA-N
XLogP0.57
TPSA124.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-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 N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 135550903) is N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YVOJOKHPLRZEQD-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-10-4-3-9(11(19)6-10)7-16-17-13(20)8-15-14(21)12-2-1-5-22-12/h1-7,18-19H,8H2,(H,15,21)(H,17,20)/b16-7+.
What are the key properties of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 135550903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).