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

C15H14FN3O2 — CID 115497261

IUPAC6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C15H14FN3O2/c1-2-14(20)17-10-6-8-11(9-7-10)18-15(21)12-4-3-5-13(16)19-12/h3-9H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyIYOBVCQOOQHYHH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.82
Rot. Bonds4

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

6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide (PubChem CID 115497261) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
PubChem CID115497261
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(F)n2)cc1
InChIInChI=1S/C15H14FN3O2/c1-2-14(20)17-10-6-8-11(9-7-10)18-15(21)12-4-3-5-13(16)19-12/h3-9H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyIYOBVCQOOQHYHH-UHFFFAOYSA-N
XLogP2.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.82
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-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 115498032
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide (CID 115497261) is 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2cccc(F)n2)cc1.
What is the InChIKey of 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is IYOBVCQOOQHYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-2-14(20)17-10-6-8-11(9-7-10)18-15(21)12-4-3-5-13(16)19-12/h3-9H,2H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide?
6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(propanoylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).