N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H19F3N2O3 — CID 155464257

IUPACN-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2=CCOC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H19F3N2O3/c25-24(26,27)20-11-10-19(22(30)28-20)23(31)29-21(16-4-2-1-3-5-16)17-8-6-15(7-9-17)18-12-13-32-14-18/h1-12,21H,13-14H2,(H,28,30)(H,29,31)
InChIKeyGRFOSTMPJVUOQE-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.33
Rot. Bonds5

About N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464257) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464257
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC NameN-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2=CCOC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C24H19F3N2O3/c25-24(26,27)20-11-10-19(22(30)28-20)23(31)29-21(16-4-2-1-3-5-16)17-8-6-15(7-9-17)18-12-13-32-14-18/h1-12,21H,13-14H2,(H,28,30)(H,29,31)
InChIKeyGRFOSTMPJVUOQE-UHFFFAOYSA-N
XLogP4.33
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464257) is N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2=CCOC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GRFOSTMPJVUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c25-24(26,27)20-11-10-19(22(30)28-20)23(31)29-21(16-4-2-1-3-5-16)17-8-6-15(7-9-17)18-12-13-32-14-18/h1-12,21H,13-14H2,(H,28,30)(H,29,31).
What are the key properties of N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 440.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dihydrofuran-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).