6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide

C15H11FN2O — CID 70789104

IUPAC6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C#Cc2cccc(F)c2)nc1
InChIInChI=1S/C15H11FN2O/c1-17-15(19)12-6-8-14(18-10-12)7-5-11-3-2-4-13(16)9-11/h2-4,6,8-10H,1H3,(H,17,19)
InChIKeyUGOPFEPBDQXFLZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.98
Rot. Bonds1

About 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide

6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide (PubChem CID 70789104) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide
PubChem CID70789104
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C#Cc2cccc(F)c2)nc1
InChIInChI=1S/C15H11FN2O/c1-17-15(19)12-6-8-14(18-10-12)7-5-11-3-2-4-13(16)9-11/h2-4,6,8-10H,1H3,(H,17,19)
InChIKeyUGOPFEPBDQXFLZ-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide (CID 70789104) is 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(C#Cc2cccc(F)c2)nc1.
What is the InChIKey of 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide?
The InChIKey is UGOPFEPBDQXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-17-15(19)12-6-8-14(18-10-12)7-5-11-3-2-4-13(16)9-11/h2-4,6,8-10H,1H3,(H,17,19).
What are the key properties of 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide?
6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 70789104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).