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

C23H19F3N2O3 — CID 155464590

IUPACN-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)COCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)19-9-8-18(21(29)27-19)22(30)28-20(15-4-2-1-3-5-15)16-7-6-14-10-11-31-13-17(14)12-16/h1-9,12,20H,10-11,13H2,(H,27,29)(H,28,30)
InChIKeyFOYQIZJTMBNQSP-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.99
Rot. Bonds4

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

N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464590) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464590
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)COCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)19-9-8-18(21(29)27-19)22(30)28-20(15-4-2-1-3-5-15)16-7-6-14-10-11-31-13-17(14)12-16/h1-9,12,20H,10-11,13H2,(H,27,29)(H,28,30)
InChIKeyFOYQIZJTMBNQSP-UHFFFAOYSA-N
XLogP3.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-1H-isochromen-6-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464582
N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464709
2-oxo-N-[2-(2-phenylmethoxyethyl)-3,4-dihydro-1H-isoquinolin-4-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464783
2-oxo-N-[[4-(oxolan-3-yl)phenyl]-phenylmethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464251
N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464257
N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464348
N-[[4-(oxan-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464432
N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464383
N-(isochroman-7-yl(phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903694
N-(isochroman-6-yl(phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903695
N-((1,3-dihydroisobenzofuran-5-yl)(phenyl)methyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171904144
N-methyl-3-[8-oxo-2-(propoxymethyl)-10-(trifluoromethyl)-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]propanamide
CID 15516652

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464590) is N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)COCC2)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FOYQIZJTMBNQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)19-9-8-18(21(29)27-19)22(30)28-20(15-4-2-1-3-5-15)16-7-6-14-10-11-31-13-17(14)12-16/h1-9,12,20H,10-11,13H2,(H,27,29)(H,28,30).
What are the key properties of N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-1H-isochromen-7-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).