N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide

C14H11N3O3 — CID 7714424

IUPACN'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
SMILESO=C(NN[C@H]1OC(=O)c2ccccc21)c1ccncc1
InChIInChI=1S/C14H11N3O3/c18-12(9-5-7-15-8-6-9)16-17-13-10-3-1-2-4-11(10)14(19)20-13/h1-8,13,17H,(H,16,18)/t13-/m0/s1
InChIKeyDRCFAMMBPPPPNW-ZDUSSCGKSA-N
MW269.26 g/mol
LogP1.19
Rot. Bonds3

About N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide

N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide (PubChem CID 7714424) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
PubChem CID7714424
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
SMILESO=C(NN[C@H]1OC(=O)c2ccccc21)c1ccncc1
InChIInChI=1S/C14H11N3O3/c18-12(9-5-7-15-8-6-9)16-17-13-10-3-1-2-4-11(10)14(19)20-13/h1-8,13,17H,(H,16,18)/t13-/m0/s1
InChIKeyDRCFAMMBPPPPNW-ZDUSSCGKSA-N
XLogP1.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide (CID 7714424) is N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide is O=C(NN[C@H]1OC(=O)c2ccccc21)c1ccncc1.
What is the InChIKey of N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide?
The InChIKey is DRCFAMMBPPPPNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-12(9-5-7-15-8-6-9)16-17-13-10-3-1-2-4-11(10)14(19)20-13/h1-8,13,17H,(H,16,18)/t13-/m0/s1.
What are the key properties of N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide?
N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide has a molecular weight of 269.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 7714424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).