N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide

C17H13N3O2 — CID 89034600

IUPACN-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
SMILESO=C(NO)c1cncc(-c2ccc(-c3cccnc3)cc2)c1
InChIInChI=1S/C17H13N3O2/c21-17(20-22)16-8-15(10-19-11-16)13-5-3-12(4-6-13)14-2-1-7-18-9-14/h1-11,22H,(H,20,21)
InChIKeyMIKAFWVWPDBWES-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.93
Rot. Bonds3

About N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide

N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide (PubChem CID 89034600) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
PubChem CID89034600
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
SMILESO=C(NO)c1cncc(-c2ccc(-c3cccnc3)cc2)c1
InChIInChI=1S/C17H13N3O2/c21-17(20-22)16-8-15(10-19-11-16)13-5-3-12(4-6-13)14-2-1-7-18-9-14/h1-11,22H,(H,20,21)
InChIKeyMIKAFWVWPDBWES-UHFFFAOYSA-N
XLogP2.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide (CID 89034600) is N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide is O=C(NO)c1cncc(-c2ccc(-c3cccnc3)cc2)c1.
What is the InChIKey of N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide?
The InChIKey is MIKAFWVWPDBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(20-22)16-8-15(10-19-11-16)13-5-3-12(4-6-13)14-2-1-7-18-9-14/h1-11,22H,(H,20,21).
What are the key properties of N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide?
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 89034600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).