N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide

C20H14N2O2 — CID 87562359

IUPACN-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide
SMILESO=C(NO)c1cc(C#Cc2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C20H14N2O2/c23-20(22-24)19-14-16(12-13-21-19)7-6-15-8-10-18(11-9-15)17-4-2-1-3-5-17/h1-5,8-14,24H,(H,22,23)
InChIKeyJKASUCQCYKOBIB-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.27
Rot. Bonds2

About N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide

N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide (PubChem CID 87562359) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide
PubChem CID87562359
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC NameN-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide
SMILESO=C(NO)c1cc(C#Cc2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C20H14N2O2/c23-20(22-24)19-14-16(12-13-21-19)7-6-15-8-10-18(11-9-15)17-4-2-1-3-5-17/h1-5,8-14,24H,(H,22,23)
InChIKeyJKASUCQCYKOBIB-UHFFFAOYSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide (CID 87562359) is N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide is O=C(NO)c1cc(C#Cc2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide?
The InChIKey is JKASUCQCYKOBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(22-24)19-14-16(12-13-21-19)7-6-15-8-10-18(11-9-15)17-4-2-1-3-5-17/h1-5,8-14,24H,(H,22,23).
What are the key properties of N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide?
N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(4-phenylphenyl)ethynyl]pyridine-2-carboxamide is sourced from PubChem (CID 87562359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).