6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

C14H12F2N2O — CID 115496649

IUPAC6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(F)n1
InChIInChI=1S/C14H12F2N2O/c15-11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(16)18-12/h1-7H,8-9H2,(H,17,19)
InChIKeyZMDCJNLEEUBIGW-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.33
Rot. Bonds4

About 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 115496649) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID115496649
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(F)n1
InChIInChI=1S/C14H12F2N2O/c15-11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(16)18-12/h1-7H,8-9H2,(H,17,19)
InChIKeyZMDCJNLEEUBIGW-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237588
2-N-[2-(4-fluorophenyl)ethyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093654
6-N-(2,6-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098596
2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109098835
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
2-N-[2-(4-fluorophenyl)ethyl]-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109098616
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 115496649) is 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is ZMDCJNLEEUBIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(16)18-12/h1-7H,8-9H2,(H,17,19).
What are the key properties of 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115496649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).