6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

C20H17F2N3O — CID 109158603

IUPAC6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C20H17F2N3O/c21-16-5-3-6-17(12-16)25-19-9-8-15(13-24-19)20(26)23-11-10-14-4-1-2-7-18(14)22/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
InChIKeyVYTUSAGIKFNPPT-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.08
Rot. Bonds6

About 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109158603) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109158603
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C20H17F2N3O/c21-16-5-3-6-17(12-16)25-19-9-8-15(13-24-19)20(26)23-11-10-14-4-1-2-7-18(14)22/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
InChIKeyVYTUSAGIKFNPPT-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62236916
6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156575
6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156577
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
methyl 3-[[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156580
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158583
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
6-[(2-chlorophenyl)methylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109156772
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109158603) is 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccccc1F)c1ccc(Nc2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VYTUSAGIKFNPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-16-5-3-6-17(12-16)25-19-9-8-15(13-24-19)20(26)23-11-10-14-4-1-2-7-18(14)22/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25).
What are the key properties of 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109158603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).