4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide

C21H21FN4O3 — CID 88887206

IUPAC4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(CCn1cc(F)c(-c2ccc(-c3ncccn3)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C21H21FN4O3/c1-21(2,20(28)25-29)8-11-26-13-17(22)16(12-18(26)27)14-4-6-15(7-5-14)19-23-9-3-10-24-19/h3-7,9-10,12-13,29H,8,11H2,1-2H3,(H,25,28)
InChIKeyKQEZSSFTRBVLGS-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.03
Rot. Bonds6

About 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide

4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 88887206) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
PubChem CID88887206
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
SMILESCC(C)(CCn1cc(F)c(-c2ccc(-c3ncccn3)cc2)cc1=O)C(=O)NO
InChIInChI=1S/C21H21FN4O3/c1-21(2,20(28)25-29)8-11-26-13-17(22)16(12-18(26)27)14-4-6-15(7-5-14)19-23-9-3-10-24-19/h3-7,9-10,12-13,29H,8,11H2,1-2H3,(H,25,28)
InChIKeyKQEZSSFTRBVLGS-UHFFFAOYSA-N
XLogP3.03
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide (CID 88887206) is 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide is CC(C)(CCn1cc(F)c(-c2ccc(-c3ncccn3)cc2)cc1=O)C(=O)NO.
What is the InChIKey of 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is KQEZSSFTRBVLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-21(2,20(28)25-29)8-11-26-13-17(22)16(12-18(26)27)14-4-6-15(7-5-14)19-23-9-3-10-24-19/h3-7,9-10,12-13,29H,8,11H2,1-2H3,(H,25,28).
What are the key properties of 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide?
4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 396.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-oxo-4-(4-pyrimidin-2-ylphenyl)-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 88887206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).