N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide

C26H21F3N4O2 — CID 91559426

IUPACN-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNc1nc(CCc2ccccn2)ccc1NC(=O)c1ccccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)35-20-13-8-17(9-14-20)21-6-1-2-7-22(21)25(34)33-23-15-12-19(32-24(23)30)11-10-18-5-3-4-16-31-18/h1-9,12-16H,10-11H2,(H2,30,32)(H,33,34)
InChIKeyTYZFZYOEMDIEFT-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.66
Rot. Bonds7

About N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide

N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 91559426) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID91559426
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC NameN-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNc1nc(CCc2ccccn2)ccc1NC(=O)c1ccccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)35-20-13-8-17(9-14-20)21-6-1-2-7-22(21)25(34)33-23-15-12-19(32-24(23)30)11-10-18-5-3-4-16-31-18/h1-9,12-16H,10-11H2,(H2,30,32)(H,33,34)
InChIKeyTYZFZYOEMDIEFT-UHFFFAOYSA-N
XLogP5.66
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[4-(2-pyridin-2-ylethylamino)phenyl]carbamoyl]phenyl]benzoic acid
CID 142663018
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
CID 10158321
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 142090091
5-amino-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 4076320
2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 134219135
2-(2-pyridin-2-ylethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-2-ium-1-one
CID 91345478
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
[4-[2-[[4-[(1-oxo-3-pyridin-2-ylpropan-2-yl)amino]phenyl]carbamoyl]phenyl]phenyl] methanesulfonate
CID 91545778
N-[2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 23296203

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide (CID 91559426) is N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide is Nc1nc(CCc2ccccn2)ccc1NC(=O)c1ccccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is TYZFZYOEMDIEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)35-20-13-8-17(9-14-20)21-6-1-2-7-22(21)25(34)33-23-15-12-19(32-24(23)30)11-10-18-5-3-4-16-31-18/h1-9,12-16H,10-11H2,(H2,30,32)(H,33,34).
What are the key properties of N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 478.47 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 91559426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).