1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H14F4N2O2 — CID 26843824

IUPAC1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H14F4N2O2/c21-16-6-1-13(2-7-16)11-26-12-14(3-10-18(26)27)19(28)25-17-8-4-15(5-9-17)20(22,23)24/h1-10,12H,11H2,(H,25,28)
InChIKeyQQVSQXCECPGRHG-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.31
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 26843824) has the molecular formula C20H14F4N2O2 and a molecular weight of 390.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID26843824
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H14F4N2O2/c21-16-6-1-13(2-7-16)11-26-12-14(3-10-18(26)27)19(28)25-17-8-4-15(5-9-17)20(22,23)24/h1-10,12H,11H2,(H,25,28)
InChIKeyQQVSQXCECPGRHG-UHFFFAOYSA-N
XLogP4.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
7-(Benzylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279210
(2E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide
CID 727131
N-(2-Fluorophenyl)Cinnamamide
CID 875024
6-[Benzyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9952803
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
(2Z)-1-[4-(4-fluorophenyl)piperazinyl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 947598

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 26843824) is 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QQVSQXCECPGRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c21-16-6-1-13(2-7-16)11-26-12-14(3-10-18(26)27)19(28)25-17-8-4-15(5-9-17)20(22,23)24/h1-10,12H,11H2,(H,25,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26843824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).