N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H19F3N2O2 — CID 155464280

IUPACN-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)19-12-11-18(21(29)27-19)22(30)28-20(15-5-2-1-3-6-15)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-13,20H,4,7-8H2,(H,27,29)(H,28,30)
InChIKeyLGOUHDFQCXCJCT-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.40
Rot. Bonds4

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

N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464280) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464280
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)19-12-11-18(21(29)27-19)22(30)28-20(15-5-2-1-3-6-15)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-13,20H,4,7-8H2,(H,27,29)(H,28,30)
InChIKeyLGOUHDFQCXCJCT-UHFFFAOYSA-N
XLogP4.40
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464280) is N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LGOUHDFQCXCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c24-23(25,26)19-12-11-18(21(29)27-19)22(30)28-20(15-5-2-1-3-6-15)17-10-9-14-7-4-8-16(14)13-17/h1-3,5-6,9-13,20H,4,7-8H2,(H,27,29)(H,28,30).
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).