N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide

C22H17F4N3O3 — CID 50844374

IUPACN-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide
SMILESO=C(Cn1c(C(=O)NCc2ccccc2F)cccc1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H17F4N3O3/c23-16-8-3-1-6-14(16)12-27-21(32)18-10-5-11-20(31)29(18)13-19(30)28-17-9-4-2-7-15(17)22(24,25)26/h1-11H,12-13H2,(H,27,32)(H,28,30)
InChIKeyDVMXXBWAJYFJQX-UHFFFAOYSA-N
MW447.39 g/mol
LogP3.57
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide (PubChem CID 50844374) has the molecular formula C22H17F4N3O3 and a molecular weight of 447.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide
PubChem CID50844374
Molecular FormulaC22H17F4N3O3
Molecular Weight447.39 g/mol
Exact Mass447.12
IUPAC NameN-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide
SMILESO=C(Cn1c(C(=O)NCc2ccccc2F)cccc1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H17F4N3O3/c23-16-8-3-1-6-14(16)12-27-21(32)18-10-5-11-20(31)29(18)13-19(30)28-17-9-4-2-7-15(17)22(24,25)26/h1-11H,12-13H2,(H,27,32)(H,28,30)
InChIKeyDVMXXBWAJYFJQX-UHFFFAOYSA-N
XLogP3.57
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 50844755
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 23601507
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
2-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17497037
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
CID 71700189

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide (CID 50844374) is N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide is O=C(Cn1c(C(=O)NCc2ccccc2F)cccc1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide?
The InChIKey is DVMXXBWAJYFJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O3/c23-16-8-3-1-6-14(16)12-27-21(32)18-10-5-11-20(31)29(18)13-19(30)28-17-9-4-2-7-15(17)22(24,25)26/h1-11H,12-13H2,(H,27,32)(H,28,30).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 50844374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).