5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C20H16F3N3O — CID 109236485

IUPAC5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H16F3N3O/c21-15-3-1-13(2-4-15)7-8-25-20(27)14-9-17(12-24-11-14)26-19-6-5-16(22)10-18(19)23/h1-6,9-12,26H,7-8H2,(H,25,27)
InChIKeyPAPQOGFASBMGKK-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.22
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236485) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236485
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H16F3N3O/c21-15-3-1-13(2-4-15)7-8-25-20(27)14-9-17(12-24-11-14)26-19-6-5-16(22)10-18(19)23/h1-6,9-12,26H,7-8H2,(H,25,27)
InChIKeyPAPQOGFASBMGKK-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109236485) is 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1cncc(Nc2ccc(F)cc2F)c1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PAPQOGFASBMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-15-3-1-13(2-4-15)7-8-25-20(27)14-9-17(12-24-11-14)26-19-6-5-16(22)10-18(19)23/h1-6,9-12,26H,7-8H2,(H,25,27).
What are the key properties of 5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.22, 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-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).