N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide

C23H17N3O4 — CID 118711430

IUPACN'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C23H17N3O4/c27-19-12-11-17(13-24-19)22(28)25-26-23(29)21-20(16-9-5-2-6-10-16)18(14-30-21)15-7-3-1-4-8-15/h1-14H,(H,24,27)(H,25,28)(H,26,29)
InChIKeyJMZBTZXSVLHCDM-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.38
Rot. Bonds4

About N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide

N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 118711430) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
PubChem CID118711430
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC NameN'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C23H17N3O4/c27-19-12-11-17(13-24-19)22(28)25-26-23(29)21-20(16-9-5-2-6-10-16)18(14-30-21)15-7-3-1-4-8-15/h1-14H,(H,24,27)(H,25,28)(H,26,29)
InChIKeyJMZBTZXSVLHCDM-UHFFFAOYSA-N
XLogP3.38
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide (CID 118711430) is N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide is O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is JMZBTZXSVLHCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-19-12-11-17(13-24-19)22(28)25-26-23(29)21-20(16-9-5-2-6-10-16)18(14-30-21)15-7-3-1-4-8-15/h1-14H,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 399.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-diphenylfuran-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 118711430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).