6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide

C14H12FN3O2 — CID 115497027

IUPAC6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C14H12FN3O2/c1-16-13(19)9-5-7-10(8-6-9)17-14(20)11-3-2-4-12(15)18-11/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyZZDHXZPMKMLQOJ-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.83
Rot. Bonds3

About 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide

6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 115497027) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
PubChem CID115497027
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C14H12FN3O2/c1-16-13(19)9-5-7-10(8-6-9)17-14(20)11-3-2-4-12(15)18-11/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyZZDHXZPMKMLQOJ-UHFFFAOYSA-N
XLogP1.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-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

N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 115497261
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 115498032
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide (CID 115497027) is 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZZDHXZPMKMLQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-16-13(19)9-5-7-10(8-6-9)17-14(20)11-3-2-4-12(15)18-11/h2-8H,1H3,(H,16,19)(H,17,20).
What are the key properties of 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).