4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C26H28FN3O4 — CID 87355946

IUPAC4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1)NO
InChIInChI=1S/C26H28FN3O4/c27-22-15-13-21(14-16-22)26(33,23-7-4-6-17-28-23)20-11-9-19(10-12-20)25(32)29-18-5-2-1-3-8-24(31)30-34/h4,6-7,9-17,33-34H,1-3,5,8,18H2,(H,29,32)(H,30,31)
InChIKeyLSXWQXSAGXJKMQ-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.69
Rot. Bonds11

About 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87355946) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87355946
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Name4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1)NO
InChIInChI=1S/C26H28FN3O4/c27-22-15-13-21(14-16-22)26(33,23-7-4-6-17-28-23)20-11-9-19(10-12-20)25(32)29-18-5-2-1-3-8-24(31)30-34/h4,6-7,9-17,33-34H,1-3,5,8,18H2,(H,29,32)(H,30,31)
InChIKeyLSXWQXSAGXJKMQ-UHFFFAOYSA-N
XLogP3.69
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]benzoic acid
CID 44560791
N-[(1S)-1-benzyl-2-hydroxyethyl]-4-pyridin-4-ylbenzamide
CID 68513305
3-[2-[1-[[4-(Aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-4-pyridinyl]benzoic acid
CID 11576157
N-[2-[(3S)-3-[[4-hydroxy-4-(5-methylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11752457
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
N-cyclopropyl-N-((1s,4R)-4-hydroxy-4-(pyridin-2-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25019564
N-(4-tert-butylphenyl)-4-(3-(hydroxymethyl)pyridin-2-yl)benzamide
CID 44417075
3-[2-(Aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoic acid
CID 67411145
4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzoic acid
CID 136166845
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474999

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87355946) is 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is O=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1)NO.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is LSXWQXSAGXJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c27-22-15-13-21(14-16-22)26(33,23-7-4-6-17-28-23)20-11-9-19(10-12-20)25(32)29-18-5-2-1-3-8-24(31)30-34/h4,6-7,9-17,33-34H,1-3,5,8,18H2,(H,29,32)(H,30,31).
What are the key properties of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 465.53 g/mol, XLogP of 3.69, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87355946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).