2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H20F3N3O2 — CID 155464418

IUPAC2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CNCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-9-8-18(21(30)28-19)22(31)29-20(15-4-2-1-3-5-15)16-7-6-14-10-11-27-13-17(14)12-16/h1-9,12,20,27H,10-11,13H2,(H,28,30)(H,29,31)
InChIKeyDDQKLLVQZMNJJS-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.56
Rot. Bonds4

About 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464418) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464418
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CNCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)19-9-8-18(21(30)28-19)22(31)29-20(15-4-2-1-3-5-15)16-7-6-14-10-11-27-13-17(14)12-16/h1-9,12,20,27H,10-11,13H2,(H,28,30)(H,29,31)
InChIKeyDDQKLLVQZMNJJS-UHFFFAOYSA-N
XLogP3.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464418) is 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)CNCC2)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DDQKLLVQZMNJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)19-9-8-18(21(30)28-19)22(31)29-20(15-4-2-1-3-5-15)16-7-6-14-10-11-27-13-17(14)12-16/h1-9,12,20,27H,10-11,13H2,(H,28,30)(H,29,31).
What are the key properties of 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).