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'}

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Related Compounds

6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509276
6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 141334616
6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 129192976
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
5-(4-methylanilino)-2H-triazole-4-carboxamide
CID 45496899
[5-carbamoyl-3-fluoro-6-(4-methylanilino)-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123145499
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 67509421
6-fluoro-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
CID 141442617
6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 134187946
6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide
CID 143890535
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
6-methyl-2-[4-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63519561

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).