N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C15H13F3N2O2 — CID 24610451

IUPACN-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H13F3N2O2/c1-9-4-2-3-5-10(9)8-19-13(21)11-6-7-12(15(16,17)18)20-14(11)22/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyWIONCRBYDYDYHT-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.63
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 24610451) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID24610451
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H13F3N2O2/c1-9-4-2-3-5-10(9)8-19-13(21)11-6-7-12(15(16,17)18)20-14(11)22/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyWIONCRBYDYDYHT-UHFFFAOYSA-N
XLogP2.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 24610451) is N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is WIONCRBYDYDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-9-4-2-3-5-10(9)8-19-13(21)11-6-7-12(15(16,17)18)20-14(11)22/h2-7H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24610451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).