N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide

C19H18F3N7O3 — CID 135358025

IUPACN-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ncc(C(F)(F)F)cc3N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18F3N7O3/c20-19(21,22)14-9-15(28-5-7-32-8-6-28)16(23-10-14)17-24-27-29(25-17)11-12-1-3-13(4-2-12)18(30)26-31/h1-4,9-10,31H,5-8,11H2,(H,26,30)
InChIKeyWZNBNICFSSPSKV-UHFFFAOYSA-N
MW449.39 g/mol
LogP1.76
Rot. Bonds5

About N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide

N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide (PubChem CID 135358025) has the molecular formula C19H18F3N7O3 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide
PubChem CID135358025
Molecular FormulaC19H18F3N7O3
Molecular Weight449.39 g/mol
Exact Mass449.14
IUPAC NameN-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ncc(C(F)(F)F)cc3N3CCOCC3)n2)cc1
InChIInChI=1S/C19H18F3N7O3/c20-19(21,22)14-9-15(28-5-7-32-8-6-28)16(23-10-14)17-24-27-29(25-17)11-12-1-3-13(4-2-12)18(30)26-31/h1-4,9-10,31H,5-8,11H2,(H,26,30)
InChIKeyWZNBNICFSSPSKV-UHFFFAOYSA-N
XLogP1.76
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide (CID 135358025) is N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3ncc(C(F)(F)F)cc3N3CCOCC3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
The InChIKey is WZNBNICFSSPSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O3/c20-19(21,22)14-9-15(28-5-7-32-8-6-28)16(23-10-14)17-24-27-29(25-17)11-12-1-3-13(4-2-12)18(30)26-31/h1-4,9-10,31H,5-8,11H2,(H,26,30).
What are the key properties of N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide?
N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide has a molecular weight of 449.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]methyl]benzamide is sourced from PubChem (CID 135358025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).