N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide

C15H14N6O2 — CID 142452243

IUPACN-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H14N6O2/c22-15(19-23)12-6-4-11(5-7-12)10-21-18-14(17-20-21)9-13-3-1-2-8-16-13/h1-8,23H,9-10H2,(H,19,22)
InChIKeyHQWAKIPRLBXXRT-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.83
Rot. Bonds5

About N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide

N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide (PubChem CID 142452243) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
PubChem CID142452243
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H14N6O2/c22-15(19-23)12-6-4-11(5-7-12)10-21-18-14(17-20-21)9-13-3-1-2-8-16-13/h1-8,23H,9-10H2,(H,19,22)
InChIKeyHQWAKIPRLBXXRT-UHFFFAOYSA-N
XLogP0.83
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide (CID 142452243) is N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(Cc3ccccn3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
The InChIKey is HQWAKIPRLBXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-15(19-23)12-6-4-11(5-7-12)10-21-18-14(17-20-21)9-13-3-1-2-8-16-13/h1-8,23H,9-10H2,(H,19,22).
What are the key properties of N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide?
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide has a molecular weight of 310.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide is sourced from PubChem (CID 142452243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).