6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide

C13H12FN3O — CID 141334617

IUPAC6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(F)ccc2C(N)=O)cc1
InChIInChI=1S/C13H12FN3O/c1-8-2-4-9(5-3-8)16-13-10(12(15)18)6-7-11(14)17-13/h2-7H,1H3,(H2,15,18)(H,16,17)
InChIKeyHEIPKMHLMGNNRU-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.37
Rot. Bonds3

About 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide

6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 141334617) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
PubChem CID141334617
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(F)ccc2C(N)=O)cc1
InChIInChI=1S/C13H12FN3O/c1-8-2-4-9(5-3-8)16-13-10(12(15)18)6-7-11(14)17-13/h2-7H,1H3,(H2,15,18)(H,16,17)
InChIKeyHEIPKMHLMGNNRU-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-(4-methylanilino)pyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide (CID 141334617) is 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2nc(F)ccc2C(N)=O)cc1.
What is the InChIKey of 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is HEIPKMHLMGNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-2-4-9(5-3-8)16-13-10(12(15)18)6-7-11(14)17-13/h2-7H,1H3,(H2,15,18)(H,16,17).
What are the key properties of 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 141334617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).