N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide

C21H25N5O2 — CID 46229586

IUPACN-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide
SMILESO=C(CCCCCCCn1cc(-c2ccc(-c3ccncc3)cc2)nn1)NO
InChIInChI=1S/C21H25N5O2/c27-21(24-28)6-4-2-1-3-5-15-26-16-20(23-25-26)19-9-7-17(8-10-19)18-11-13-22-14-12-18/h7-14,16,28H,1-6,15H2,(H,24,27)
InChIKeyHJRWXUGJNWREAQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.85
Rot. Bonds10

About N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide

N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide (PubChem CID 46229586) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide
PubChem CID46229586
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide
SMILESO=C(CCCCCCCn1cc(-c2ccc(-c3ccncc3)cc2)nn1)NO
InChIInChI=1S/C21H25N5O2/c27-21(24-28)6-4-2-1-3-5-15-26-16-20(23-25-26)19-9-7-17(8-10-19)18-11-13-22-14-12-18/h7-14,16,28H,1-6,15H2,(H,24,27)
InChIKeyHJRWXUGJNWREAQ-UHFFFAOYSA-N
XLogP3.85
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide?
The IUPAC name of N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide (CID 46229586) is N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide.
What is the SMILES notation for N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide?
The canonical SMILES for N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide is O=C(CCCCCCCn1cc(-c2ccc(-c3ccncc3)cc2)nn1)NO.
What is the InChIKey of N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide?
The InChIKey is HJRWXUGJNWREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-21(24-28)6-4-2-1-3-5-15-26-16-20(23-25-26)19-9-7-17(8-10-19)18-11-13-22-14-12-18/h7-14,16,28H,1-6,15H2,(H,24,27).
What are the key properties of N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide?
N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide has a molecular weight of 379.46 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]octanamide is sourced from PubChem (CID 46229586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).