1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C20H15F3N2O2 — CID 8697162

IUPAC1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2=O)cc1
InChIInChI=1S/C20H15F3N2O2/c1-12-2-4-13(5-3-12)10-25-11-14(6-9-17(25)26)20(27)24-16-8-7-15(21)18(22)19(16)23/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyYGPXHWGICZBVNI-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.87
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 8697162) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID8697162
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2=O)cc1
InChIInChI=1S/C20H15F3N2O2/c1-12-2-4-13(5-3-12)10-25-11-14(6-9-17(25)26)20(27)24-16-8-7-15(21)18(22)19(16)23/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyYGPXHWGICZBVNI-UHFFFAOYSA-N
XLogP3.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697069
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382372
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
N-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382687
methyl 3-[[1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]thiophene-2-carboxylate
CID 1482953
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 8697162) is 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is Cc1ccc(Cn2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is YGPXHWGICZBVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-12-2-4-13(5-3-12)10-25-11-14(6-9-17(25)26)20(27)24-16-8-7-15(21)18(22)19(16)23/h2-9,11H,10H2,1H3,(H,24,27).
What are the key properties of 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 8697162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).