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

C23H19F3N2O3 — CID 155464304

IUPACN-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2COC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)19-11-10-18(21(29)27-19)22(30)28-20(15-4-2-1-3-5-15)16-8-6-14(7-9-16)17-12-31-13-17/h1-11,17,20H,12-13H2,(H,27,29)(H,28,30)
InChIKeyLDQRGOREIFUYAT-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.03
Rot. Bonds5

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

N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464304) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464304
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2COC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)19-11-10-18(21(29)27-19)22(30)28-20(15-4-2-1-3-5-15)16-8-6-14(7-9-16)17-12-31-13-17/h1-11,17,20H,12-13H2,(H,27,29)(H,28,30)
InChIKeyLDQRGOREIFUYAT-UHFFFAOYSA-N
XLogP4.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464304) is N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2COC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LDQRGOREIFUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)19-11-10-18(21(29)27-19)22(30)28-20(15-4-2-1-3-5-15)16-8-6-14(7-9-16)17-12-31-13-17/h1-11,17,20H,12-13H2,(H,27,29)(H,28,30).
What are the key properties of N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxetan-3-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).