1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide

C22H20F3N3O — CID 171037917

IUPAC1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESN#Cc1cccc(CN2CCC=C(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C22H20F3N3O/c23-22(24,25)20-8-6-16(7-9-20)13-27-21(29)19-5-2-10-28(15-19)14-18-4-1-3-17(11-18)12-26/h1,3-9,11H,2,10,13-15H2,(H,27,29)
InChIKeyWFISMZGRGBWALP-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.03
Rot. Bonds5

About 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide

1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide (PubChem CID 171037917) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide
PubChem CID171037917
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESN#Cc1cccc(CN2CCC=C(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C22H20F3N3O/c23-22(24,25)20-8-6-16(7-9-20)13-27-21(29)19-5-2-10-28(15-19)14-18-4-1-3-17(11-18)12-26/h1,3-9,11H,2,10,13-15H2,(H,27,29)
InChIKeyWFISMZGRGBWALP-UHFFFAOYSA-N
XLogP4.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide with MolForge

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Related Compounds

3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
(E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile
CID 5835419
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 15983688
3-(piperidin-1-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 137654241
(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide
CID 147682121
(E)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426714
N-[(3,4-dimethylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 42940979
N-[(4-cyanophenyl)methyl]-6-methyl-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 127053912
N-[(4-cyanophenyl)methyl]-5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 127053921
N-[bis(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464242
N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464270
2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464292

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide (CID 171037917) is 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide is N#Cc1cccc(CN2CCC=C(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is WFISMZGRGBWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c23-22(24,25)20-8-6-16(7-9-20)13-27-21(29)19-5-2-10-28(15-19)14-18-4-1-3-17(11-18)12-26/h1,3-9,11H,2,10,13-15H2,(H,27,29).
What are the key properties of 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide?
1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 171037917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).