4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

C15H14F3N3O — CID 71197021

IUPAC4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCNc1ccc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C15H14F3N3O/c1-19-12-5-3-11(4-6-12)14(22)21-9-10-2-7-13(20-8-10)15(16,17)18/h2-8,19H,9H2,1H3,(H,21,22)
InChIKeyUREKNOVTOLSIER-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.07
Rot. Bonds4

About 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 71197021) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
PubChem CID71197021
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCNc1ccc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C15H14F3N3O/c1-19-12-5-3-11(4-6-12)14(22)21-9-10-2-7-13(20-8-10)15(16,17)18/h2-8,19H,9H2,1H3,(H,21,22)
InChIKeyUREKNOVTOLSIER-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162686
4-[(3-chlorophenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515248
4-[(5-fluoro-2-methylphenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515245
4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240
4-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515239
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69185428
[3-(4-methylphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]phenyl]methanesulfinate
CID 174733775
4-[benzoyl-[(2,3-dichlorophenyl)methyl]amino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69181074
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (CID 71197021) is 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is CNc1ccc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is UREKNOVTOLSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-19-12-5-3-11(4-6-12)14(22)21-9-10-2-7-13(20-8-10)15(16,17)18/h2-8,19H,9H2,1H3,(H,21,22).
What are the key properties of 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 71197021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).