N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide

C15H13FN4O3 — CID 168908064

IUPACN-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide
SMILESCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1cccnc1
InChIInChI=1S/C15H13FN4O3/c1-20(15(22)12-3-2-6-17-8-12)18-9-11-5-4-10(7-13(11)16)14(21)19-23/h2-9,23H,1H3,(H,19,21)/b18-9+
InChIKeyMCCOOOINKGYOGO-GIJQJNRQSA-N
MW316.29 g/mol
LogP1.45
Rot. Bonds4

About N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide

N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide (PubChem CID 168908064) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide
PubChem CID168908064
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC NameN-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide
SMILESCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1cccnc1
InChIInChI=1S/C15H13FN4O3/c1-20(15(22)12-3-2-6-17-8-12)18-9-11-5-4-10(7-13(11)16)14(21)19-23/h2-9,23H,1H3,(H,19,21)/b18-9+
InChIKeyMCCOOOINKGYOGO-GIJQJNRQSA-N
XLogP1.45
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907937
4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide
CID 168907848
methyl 3-fluoro-4-[(E)-[(2-fluoro-5-methoxybenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168907894
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide
CID 91212656
hydroxycarbamoyl pyridine-3-carboxylate
CID 91185669
3-[3-fluoro-4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73035687
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide
CID 168907872

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide (CID 168908064) is N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide is CN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1cccnc1.
What is the InChIKey of N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide?
The InChIKey is MCCOOOINKGYOGO-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-20(15(22)12-3-2-6-17-8-12)18-9-11-5-4-10(7-13(11)16)14(21)19-23/h2-9,23H,1H3,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide?
N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide has a molecular weight of 316.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 168908064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).