1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H14F4N2O2 — CID 26843822

IUPAC1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H14F4N2O2/c21-15-8-5-13(6-9-15)11-26-12-14(7-10-18(26)27)19(28)25-17-4-2-1-3-16(17)20(22,23)24/h1-10,12H,11H2,(H,25,28)
InChIKeyMHRZPHIYLSGWQX-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.31
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 26843822) 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-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID26843822
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H14F4N2O2/c21-15-8-5-13(6-9-15)11-26-12-14(7-10-18(26)27)19(28)25-17-4-2-1-3-16(17)20(22,23)24/h1-10,12H,11H2,(H,25,28)
InChIKeyMHRZPHIYLSGWQX-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

1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 8671010
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
CID 71700189
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
N-(2-ethylphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844020

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 26843822) is 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MHRZPHIYLSGWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c21-15-8-5-13(6-9-15)11-26-12-14(7-10-18(26)27)19(28)25-17-4-2-1-3-16(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-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(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-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26843822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).