N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide

C15H13F3N2O2 — CID 110730365

IUPACN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
SMILESCn1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C15H13F3N2O2/c1-20-8-2-3-11(14(20)22)9-19-13(21)10-4-6-12(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyZTVGLKSUPLURJA-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.33
Rot. Bonds3

About N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 110730365) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID110730365
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
SMILESCn1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C15H13F3N2O2/c1-20-8-2-3-11(14(20)22)9-19-13(21)10-4-6-12(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyZTVGLKSUPLURJA-UHFFFAOYSA-N
XLogP2.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-phenylbenzamide
CID 110730367
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 110730355
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71548055
methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
CID 126586374
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide;hydroiodide
CID 111359697
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46393856
diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073334
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide (CID 110730365) is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide is Cn1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZTVGLKSUPLURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-20-8-2-3-11(14(20)22)9-19-13(21)10-4-6-12(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide?
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 310.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110730365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).