ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate

C23H25N5O4 — CID 144861996

IUPACethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate
SMILESCC.CCOC(=O)c1c(-c2cccc(/C(=N/N)NN)c2)c2oc3ccccc3c2[nH]c1=O
InChIInChI=1S/C21H19N5O4.C2H6/c1-2-29-21(28)16-15(11-6-5-7-12(10-11)19(25-22)26-23)18-17(24-20(16)27)13-8-3-4-9-14(13)30-18;1-2/h3-10H,2,22-23H2,1H3,(H,24,27)(H,25,26);1-2H3
InChIKeyYPQYRXYEXXIXTJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.23
Rot. Bonds4

About ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate

ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate (PubChem CID 144861996) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate
PubChem CID144861996
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate
SMILESCC.CCOC(=O)c1c(-c2cccc(/C(=N/N)NN)c2)c2oc3ccccc3c2[nH]c1=O
InChIInChI=1S/C21H19N5O4.C2H6/c1-2-29-21(28)16-15(11-6-5-7-12(10-11)19(25-22)26-23)18-17(24-20(16)27)13-8-3-4-9-14(13)30-18;1-2/h3-10H,2,22-23H2,1H3,(H,24,27)(H,25,26);1-2H3
InChIKeyYPQYRXYEXXIXTJ-UHFFFAOYSA-N
XLogP3.23
TPSA148.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

Analyze ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate 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 ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate (CID 144861996) is ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate is CC.CCOC(=O)c1c(-c2cccc(/C(=N/N)NN)c2)c2oc3ccccc3c2[nH]c1=O.
What is the InChIKey of ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The InChIKey is YPQYRXYEXXIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4.C2H6/c1-2-29-21(28)16-15(11-6-5-7-12(10-11)19(25-22)26-23)18-17(24-20(16)27)13-8-3-4-9-14(13)30-18;1-2/h3-10H,2,22-23H2,1H3,(H,24,27)(H,25,26);1-2H3.
What are the key properties of ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 144861996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).