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

C20H16F3N3O — CID 109214014

IUPAC4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C20H16F3N3O/c21-16-4-2-1-3-13(16)7-9-25-20(27)19-12-15(8-10-24-19)26-14-5-6-17(22)18(23)11-14/h1-6,8,10-12H,7,9H2,(H,24,26)(H,25,27)
InChIKeyJAZADPKGUPJUDM-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.22
Rot. Bonds6

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

4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109214014) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109214014
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cc(Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C20H16F3N3O/c21-16-4-2-1-3-13(16)7-9-25-20(27)19-12-15(8-10-24-19)26-14-5-6-17(22)18(23)11-14/h1-6,8,10-12H,7,9H2,(H,24,26)(H,25,27)
InChIKeyJAZADPKGUPJUDM-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

4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109213974
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
N-(3-chloro-4-fluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214063
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209444
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211244

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109214014) is 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccccc1F)c1cc(Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is JAZADPKGUPJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-16-4-2-1-3-13(16)7-9-25-20(27)19-12-15(8-10-24-19)26-14-5-6-17(22)18(23)11-14/h1-6,8,10-12H,7,9H2,(H,24,26)(H,25,27).
What are the key properties of 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-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 4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).