N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide

C15H14FN3O2 — CID 115497151

IUPACN-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(F)n2)cc1C
InChIInChI=1S/C15H14FN3O2/c1-9-8-11(6-7-12(9)17-10(2)20)18-15(21)13-4-3-5-14(16)19-13/h3-8H,1-2H3,(H,17,20)(H,18,21)
InChIKeyFXFFTORHYSXYOP-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.74
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide

N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115497151) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
PubChem CID115497151
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(F)n2)cc1C
InChIInChI=1S/C15H14FN3O2/c1-9-8-11(6-7-12(9)17-10(2)20)18-15(21)13-4-3-5-14(16)19-13/h3-8H,1-2H3,(H,17,20)(H,18,21)
InChIKeyFXFFTORHYSXYOP-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496998
N-(4-acetamido-3-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 46421778
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide (CID 115497151) is N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cccc(F)n2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is FXFFTORHYSXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-8-11(6-7-12(9)17-10(2)20)18-15(21)13-4-3-5-14(16)19-13/h3-8H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide?
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).