N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide

C16H13N5O5 — CID 4846026

IUPACN-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H13N5O5/c22-12(8-17-15(24)11-6-3-7-26-11)18-21-16(25)13-9-4-1-2-5-10(9)14(23)20-19-13/h1-7H,8H2,(H,17,24)(H,18,22)(H,20,23)(H,21,25)
InChIKeyVUAIMSKQHQCHGI-UHFFFAOYSA-N
MW355.31 g/mol
LogP-0.29
Rot. Bonds4

About N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide

N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide (PubChem CID 4846026) has the molecular formula C16H13N5O5 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
PubChem CID4846026
Molecular FormulaC16H13N5O5
Molecular Weight355.31 g/mol
Exact Mass355.09
IUPAC NameN-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H13N5O5/c22-12(8-17-15(24)11-6-3-7-26-11)18-21-16(25)13-9-4-1-2-5-10(9)14(23)20-19-13/h1-7H,8H2,(H,17,24)(H,18,22)(H,20,23)(H,21,25)
InChIKeyVUAIMSKQHQCHGI-UHFFFAOYSA-N
XLogP-0.29
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide (CID 4846026) is N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
The InChIKey is VUAIMSKQHQCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O5/c22-12(8-17-15(24)11-6-3-7-26-11)18-21-16(25)13-9-4-1-2-5-10(9)14(23)20-19-13/h1-7H,8H2,(H,17,24)(H,18,22)(H,20,23)(H,21,25).
What are the key properties of N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide has a molecular weight of 355.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 4846026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).