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

C20H15F3N2O2 — CID 7597976

IUPAC1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1=O
InChIInChI=1S/C20H15F3N2O2/c1-12-5-2-3-6-13(12)11-25-10-4-7-14(20(25)27)19(26)24-16-9-8-15(21)17(22)18(16)23/h2-10H,11H2,1H3,(H,24,26)
InChIKeyCHHTWIHCINWVAG-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.87
Rot. Bonds4

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

1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 7597976) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID7597976
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1=O
InChIInChI=1S/C20H15F3N2O2/c1-12-5-2-3-6-13(12)11-25-10-4-7-14(20(25)27)19(26)24-16-9-8-15(21)17(22)18(16)23/h2-10H,11H2,1H3,(H,24,26)
InChIKeyCHHTWIHCINWVAG-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

methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597894
N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598504
1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
CID 7598978
1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
N-(2-methoxy-4-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597943
1-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598870
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
N-(2-methoxy-5-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382319

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 7597976) is 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is CHHTWIHCINWVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-12-5-2-3-6-13(12)11-25-10-4-7-14(20(25)27)19(26)24-16-9-8-15(21)17(22)18(16)23/h2-10H,11H2,1H3,(H,24,26).
What are the key properties of 1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
1-[(2-methylphenyl)methyl]-2-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-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 7597976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).