6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C20H17F2N3O — CID 109158344

IUPAC6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C20H17F2N3O/c21-17-8-7-16(12-18(17)22)25-19-9-6-15(13-24-19)20(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
InChIKeyFVZPNLGOMFPJLT-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.08
Rot. Bonds6

About 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109158344) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109158344
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C20H17F2N3O/c21-17-8-7-16(12-18(17)22)25-19-9-6-15(13-24-19)20(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
InChIKeyFVZPNLGOMFPJLT-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

6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158603
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
CID 164589633
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158733
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109158344) is 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is FVZPNLGOMFPJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-17-8-7-16(12-18(17)22)25-19-9-6-15(13-24-19)20(26)23-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25).
What are the key properties of 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
6-(3,4-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 6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).