5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C20H17F2N3O — CID 109235876

IUPAC5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H17F2N3O/c21-16-6-7-19(18(22)11-16)25-17-10-15(12-23-13-17)20(26)24-9-8-14-4-2-1-3-5-14/h1-7,10-13,25H,8-9H2,(H,24,26)
InChIKeyWQTYCIOAAJICCL-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.08
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109235876) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109235876
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H17F2N3O/c21-16-6-7-19(18(22)11-16)25-17-10-15(12-23-13-17)20(26)24-9-8-14-4-2-1-3-5-14/h1-7,10-13,25H,8-9H2,(H,24,26)
InChIKeyWQTYCIOAAJICCL-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

5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
5-N-(3-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106241
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235844
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194887
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109235876) is 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cncc(Nc2ccc(F)cc2F)c1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is WQTYCIOAAJICCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-16-6-7-19(18(22)11-16)25-17-10-15(12-23-13-17)20(26)24-9-8-14-4-2-1-3-5-14/h1-7,10-13,25H,8-9H2,(H,24,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
5-(2,4-difluoroanilino)-N-(2-phenylethyl)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 5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).